SCHEMBL11660703

SCHEMBL11660703

[CH]=CC(CCc1ccccc1)OC

nearest known ligand 0.44

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ANPEP P15144 2/20 0.40
▸ ERAP1 Q9NZ08 2/20 0.40
▸ MMP12 P39900 1/20 0.40
▸ ERAP2 Q6P179 1/20 0.40
▸ IDO1 P14902 2/20 0.39
▸ TDO2 P48775 1/20 0.39
▸ CYP2A6 P11509 1/20 0.39
▸ HTR2A P28223 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ TAAR1 Q96RJ0 1/20 0.39
▸ LOXL2 Q9Y4K0 1/20 0.39
▸ G6PD P11413 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ BLM P54132 1/20 0.37
▸ AOC3 Q16853 1/20 0.37
▸ HPGD P15428 1/20 0.37

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
SCHEMBL11660741 0.82 KDM4E (0.43) IDO1TAAR1LOXL2AOC3
SCHEMBL11663043 0.80 IDO1 (0.49) IDO1TDO2TAAR1AOC3
SCHEMBL11661946 0.77 TAAR1 (0.53) IDO1HTR2ATAAR1TSHR
SCHEMBL7782094 0.75 TSHR (0.44) SMN1; SMN2TSHRHPGD
SCHEMBL7265649 0.75 ANPEP (0.47) ANPEPERAP1MMP12ERAP2IDO1
SCHEMBL873038 0.74 MMP12 (0.45) ANPEPERAP1MMP12ERAP2CYP2A6
SCHEMBL13074081 0.74 MMP12 (0.57) ANPEPERAP1MMP12ERAP2TAAR1
SCHEMBL820953 0.72 TSHR (0.46) MMP12SMN1; SMN2G6PDTSHRHPGD
SCHEMBL13626178 0.72 TSHR (0.46) MMP12SMN1; SMN2G6PDTSHRHPGD
SCHEMBL11662165 0.72 LMNA (0.50) SMN1; SMN2TAAR1AOC3HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4099014-A BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1978-07-04 — — US disclosed
US-4033989-A 9-Deoxy-PGF2 Analogs THE UPJOHN COMPANY (US) 1977-07-05 — — US disclosed
US-4016184-A PROSTAGLANDINS, BLOOD PLATELET AGGREGATION INHIBITORS THE UPJOHN COMPANY (US) 1977-04-05 — — US disclosed
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