SCHEMBL1838253

SCHEMBL1838253

COC(=O)OC(C)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.58
KMT2A Q03164 1/20 0.53
RORC P51449 2/20 0.45
LPAR1 Q92633 2/20 0.44
TSHR P16473 2/20 0.44
LPAR3 Q9UBY5 1/20 0.44
ALDH1A1 P00352 2/20 0.44
HSD17B10 Q99714 2/20 0.44
TP53 P04637 1/20 0.44
HPGD P15428 2/20 0.44
HTT P42858 1/20 0.44
PTGS1 P23219 1/20 0.44
PTGS2 P35354 1/20 0.44
KLK7 P49862 1/20 0.44
KDM4E B2RXH2 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
OPRM1 P35372 2/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3625229 0.91 HCAR2 (0.61) HCAR2KMT2ARORCLPAR1TSHR
SCHEMBL3786370 0.91 HCAR2 (0.61) HCAR2KMT2ARORCLPAR1TSHR
SCHEMBL1694877 0.91 HCAR2 (0.61) HCAR2KMT2ARORCLPAR1TSHR
SCHEMBL9002300 0.90 HCAR2 (0.53) HCAR2KMT2ARORCLPAR1TSHR
SCHEMBL3786371 0.83 HCAR2 (0.61) HCAR2KMT2ALPAR1TSHRLPAR3
SCHEMBL8088686 0.83 HCAR2 (0.61) HCAR2KMT2ALPAR1TSHRLPAR3
SCHEMBL3625234 0.83 HCAR2 (0.61) HCAR2KMT2ALPAR1TSHRLPAR3
SCHEMBL871943 0.83 HCAR2 (0.61) HCAR2KMT2ALPAR1TSHRLPAR3
SCHEMBL11000173 0.83 KMT2A (0.57) KMT2ATSHRALDH1A1HSD17B10HPGD
SCHEMBL8846903 0.82 HCAR2 (0.53) HCAR2KMT2AALDH1A1HSD17B10TP53

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4464280-A PERFUEM AROMA ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-07 US claimed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US claimed
WO-2023126539-A1 METHOD FOR MONITORING THE CONVERSION STATE OF A LIQUID ORGANIC HYDROGEN CARRIER COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-07-06 WO disclosed
WO-2023067190-A1 MIXTURES OF LIQUID ORGANIC HYDROGEN CARRIERS, USES THEREOF FOR TRANSPORTING AND STORING HYDROGEN, AND HYDROGEN GENERATION METHODS USING SAME COMMISSARIAT A L'ENERGIE ATOMIQUE ET AUX ENERGIES ALTERNATIVES (FR) 2023-04-27 WO disclosed
EP-3838892-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2022-10-12 EP disclosed
EP-3293173-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-07-28 EP disclosed
EP-3838892-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2021-06-23 EP disclosed
EP-2980066-B1 METHOD FOR PRODUCING ISOCYANATE ASAHI CHEMICAL IND (JP) 2021-04-21 EP disclosed
EP-3153499-B1 METHOD FOR PRODUCING N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2018-09-19 EP disclosed
EP-3293173-A1 METHOD FOR PRODUCING ISOCYANATE Asahi Kasei Kabushiki Kaisha (JP) 2018-03-14 EP disclosed
EP-2322504-B9 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER ASAHI CHEMICAL IND (JP) 2017-09-06 EP disclosed
EP-2322504-A1 PROCESS FOR THE PREPARATION OF N-SUBSTITUTED CARBAMIC ACID ESTER AND PROCESS FOR THE PREPARATION OF ISOCYANATE USING THE N-SUBSTITUTED CARBAMIC ACID ESTER Asahi Kasei Chemicals Corporation (JP) 2011-05-18 EP disclosed
CN-101356173-A Novel pyridopyrazines and their use as modulators of kinases AETERNA ZENTARIS GMBH (DE) 2009-01-28 CN disclosed
EP-0060904-B1 A PROCESS FOR MAKING VICINAL EPOXIDES AND ALKYL HALIDES OR ALKYLENE DIHALIDES FROM CARBONATE ESTERS THE DOW CHEMICAL COMPANY (US) 1986-09-10 EP disclosed
US-4464280-A PERFUEM AROMA ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-07 US disclosed
US-4464280-A PERFUEM AROMA ENHANCEMENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-08-07 US disclosed
US-4447365-A ORGANOLEPTIC AGENT INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-05-08 US disclosed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US disclosed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US disclosed
US-4436652-A ALCOHOL AND KETONE; PERFUMES INTERNATIONAL FLAVORS & FRAGRANCES INC. (US) 1984-03-13 US disclosed