SCHEMBL698457

SCHEMBL698457

C[CH]C(=O)OCCCCC

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 3/20 0.62
ATM Q13315 1/20 0.61
TSHR P16473 6/20 0.57
HPGD P15428 1/20 0.57
NAAA Q02083 1/20 0.54
EPHX1 P07099 1/20 0.50
ALDH1A1 P00352 2/20 0.48
CYP3A4 P08684 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
MAPT P10636 1/20 0.46
RAB9A P51151 1/20 0.46
TP53 P04637 1/20 0.46
MAPK1 P28482 1/20 0.46
RAD52 P43351 1/20 0.46
APP P05067 1/20 0.45
CA12 O43570 1/20 0.45
CA1 P00915 1/20 0.45
CA2 P00918 1/20 0.45
CA9 Q16790 1/20 0.45
FAAH O00519 1/20 0.44

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
SCHEMBL4369309 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL4364153 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL8379400 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL8376821 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL4371063 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL1245209 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL5238456 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL8390518 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL697992 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA
SCHEMBL5239452 0.98 HCAR2 (0.63) HCAR2ATMTSHRHPGDNAAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105307661-A 4'-azido, 3'-deoxy-3'-fluoro substituted nucleoside derivatives RIBOSCIENCE LLC 2016-02-03 CN claimed
US-20200071617-A1 LIQUID CRYSTAL DISPLAY ELEMENT DIC CORPORATION (JP) 2020-03-05 US disclosed
EP-3057574-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE Otsuka Pharmaceutical Co., Ltd. (JP) 2016-08-24 EP disclosed
CN-105307661-A 4'-azido, 3'-deoxy-3'-fluoro substituted nucleoside derivatives RIBOSCIENCE LLC 2016-02-03 CN disclosed
WO-2015056805-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2015-04-23 WO disclosed
EP-2854815-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE Otsuka Pharmaceutical Co., Limited (JP) 2015-04-08 EP disclosed
WO-2013180310-A1 DRUG FOR PREVENTING AND/OR TREATING POLYCYSTIC KIDNEY DISEASE OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-12-05 WO disclosed
EP-1459742-B9 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2012-05-02 EP disclosed
EP-2423199-A1 Substituted imidazoles and their use as pesticides Pfizer Limited (GB) 2012-02-29 EP disclosed
EP-1459742-B1 Agent for prophylaxis and treatment of asthenopia and pseudomyopia SENJU PHARMA CO (JP) 2011-10-12 EP disclosed
US-5306808-A Endothelin derivatives TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1994-04-26 US disclosed
EP-0380144-B1 Process for producing optically active benzene-sulfonamide derivatives YAMANOUCHI PHARMA CO LTD (JP) 1994-01-19 EP disclosed
EP-0547317-A1 Endothelin antagonists TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1993-06-23 EP disclosed
EP-0523543-A1 Chiral piperazine derivatives F. HOFFMANN-LA ROCHE AG (CH) 1993-01-20 EP disclosed
EP-0499266-A1 Endothelin antagonist TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1992-08-19 EP disclosed
EP-0470256-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF Takeda Chemical Industries, Ltd. (JP) 1992-02-12 EP disclosed
WO-1991013089-A1 PEPTIDE DERIVATIVES AND PRODUCTION THEREOF TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1991-09-05 WO disclosed
EP-0257787-B1 PROCESS FOR PRODUCING OPTICALLY ACTIVE BENZENE-SULFONAMIDE DERIVATES YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-04-17 EP disclosed
EP-0380144-A1 Process for producing optically active benzene-sulfonamide derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1990-08-01 EP disclosed
EP-0257787-A1 Process for producing optically active benzene-sulfonamide derivates YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1988-03-02 EP disclosed