SCHEMBL9344732

SCHEMBL9344732

C#CCOC(=O)Oc1ccc(Cc2ccc(OC(=O)OCC#C)cc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 1/20 0.47
NPC1 O15118 1/20 0.44
KMT2A Q03164 3/20 0.40
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
SRD5A2 P31213 1/20 0.38
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 1/20 0.37
CA9 Q16790 1/20 0.37
CA14 Q9ULX7 1/20 0.37
HTR2A P28223 1/20 0.37
SAE1 Q9UBE0 1/20 0.37
UBA2 Q9UBT2 1/20 0.37
ALDH1A1 P00352 1/20 0.35
TAAR1 Q96RJ0 1/20 0.35
HTT P42858 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
STS P08842 1/20 0.35

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
SCHEMBL9344775 0.85 NPC1 (0.47) NPC1KMT2ATHRATHRBCA12
SCHEMBL9345266 0.85 NPC1 (0.47) ELANENPC1KMT2ACA12CA1
SCHEMBL17264967 0.84 NPC1 (0.46) NPC1KMT2ACA12CA1CA2
SCHEMBL28550850 0.82 NPC1 (0.44) ELANENPC1CA1CA2ALDH1A1
SCHEMBL17264966 0.82 LMNA (0.50) NPC1KMT2AALDH1A1SMN1; SMN2TSHR
SCHEMBL28559769 0.82 NPC1 (0.44) ELANENPC1KMT2ACA12CA1
SCHEMBL9346107 0.82 ELANE (0.50) ELANENPC1CA12CA1CA2
SCHEMBL576653 0.81 NPC1 (0.56) NPC1KMT2ACA12CA1CA2
SCHEMBL9345162 0.81 ELANE (0.46) ELANENPC1KMT2ATHRATHRB
SCHEMBL9345171 0.81 ELANE (0.46) ELANENPC1KMT2ATHRATHRB

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP claimed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 EP claimed
JP-4026655-A None JP disclosed
EP-0457334-B1 Carbonates of acetylenic alcohols NIPPON PAINT CO LTD (JP) 1994-08-10 EP disclosed
US-5258542-A Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1993-11-02 US disclosed
US-5194653-A Useful in making heat resistant liquid crystalline polymers NIPPON PAINT COMPANY, LIMITED (JP) 1993-03-16 US disclosed
JP-H0426655-A NEW ACETYLENE BASED BISCARBONATE COMPOUND NIPPON PAINT CO LTD 1992-01-29 JP disclosed
EP-0457334-A1 Carbonates of acetylenic alcohols NIPPON PAINT CO., LTD. (JP) 1991-11-21 EP disclosed