SCHEMBL11662943

SCHEMBL11662943

[CH]=CC(C)(O)C(C)(C)Oc1ccc(F)cc1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NFE2L2 Q16236 1/20 0.35
▸ GAA P10253 1/20 0.34
▸ CASR P41180 1/20 0.32
▸ MAOA P21397 2/20 0.31
▸ MAOB P27338 2/20 0.31
▸ PPARA Q07869 1/20 0.30
▸ AOC2 O75106 1/20 0.30
▸ DAO P14920 1/20 0.30
▸ PTGS1 P23219 1/20 0.30
▸ PTGS2 P35354 1/20 0.30
▸ KDM4E B2RXH2 1/20 0.30
▸ ALDH1A1 P00352 1/20 0.30
▸ HPGD P15428 1/20 0.30
▸ MMP1 P03956 1/20 0.30
▸ MMP2 P08253 1/20 0.30
▸ MMP9 P14780 1/20 0.30
▸ MMP13 P45452 1/20 0.30

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
SCHEMBL11664301 0.81 CA4 (0.33) PPARAALDH1A1
SCHEMBL28993188 0.74 GAA (0.36) NFE2L2GAACASRMAOAMAOB
SCHEMBL27841641 0.72 GAA (0.43) NFE2L2GAACASRMAOAMAOB
SCHEMBL11660365 0.71 GAA (0.34) NFE2L2GAACASRMAOBPPARA
SCHEMBL11662822 0.71 MAOB (0.41) MAOBPPARAKDM4EALDH1A1
SCHEMBL11518124 0.70 CASR (0.36) NFE2L2GAACASRMAOAMAOB
SCHEMBL11661682 0.70 SSTR4 (0.39) MAOAMAOBAOC2DAO
SCHEMBL11664095 0.70 PGR (0.37) MAOBKDM4E
SCHEMBL4977051 0.69 NFE2L2 (0.41) NFE2L2GAACASRMAOAMAOB
SCHEMBL11517918 0.69 NFE2L2 (0.36) NFE2L2GAACASRMAOAMAOB

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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