SCHEMBL11661775

SCHEMBL11661775

[CH]=CC(OC)C(C)(C)Oc1cccc(Cl)c1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ RELA Q04206 1/20 0.35
▸ OGG1 O15527 1/20 0.35
▸ SLC6A4 P31645 3/20 0.34
▸ KCNH2 Q12809 2/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ CNR1 P21554 2/20 0.33
▸ CASR P41180 1/20 0.33
▸ CNR2 P34972 1/20 0.33
▸ POLB P06746 1/20 0.33
▸ AOC3 Q16853 2/20 0.32
▸ KMT2A Q03164 1/20 0.32
▸ WDR5 P61964 1/20 0.32
▸ GRM5 P41594 1/20 0.32
▸ NFE2L2 Q16236 1/20 0.32
▸ MAOB P27338 1/20 0.31
▸ SLC6A2 P23975 1/20 0.31
▸ SLC6A3 Q01959 1/20 0.31

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
SCHEMBL11663924 0.81 CA4 (0.35) —
SCHEMBL11516078 0.81 OGG1 (0.38) OGG1SLC6A4KCNH2HTR2ACNR1
SCHEMBL11661985 0.80 L3MBTL1 (0.37) SLC6A4HTR2APOLBAOC3MAOB
SCHEMBL11660378 0.75 CNR1 (0.38) OGG1SLC6A4KCNH2HTR2ACNR1
SCHEMBL11665135 0.73 PNMT (0.41) MAOB
SCHEMBL11614514 0.72 OGG1 (0.38) OGG1SLC6A4KCNH2HTR2ACNR1
SCHEMBL2318592 0.71 WDR5 (0.42) OGG1SLC6A4KCNH2HTR2APOLB
SCHEMBL11518530 0.71 POLB (0.37) SLC6A4KCNH2HTR2ACNR1CNR2
SCHEMBL11664095 0.70 PGR (0.37) RELAOGG1KCNH2CNR1CNR2
SCHEMBL11660239 0.70 WDR5 (0.46) KCNH2CASRAOC3KMT2AWDR5

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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