SCHEMBL11661985

SCHEMBL11661985

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

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ L3MBTL1 Q9Y468 4/20 0.37
▸ MAOB P27338 2/20 0.36
▸ AOC3 Q16853 1/20 0.36
▸ MAPT P10636 2/20 0.36
▸ PPARG P37231 4/20 0.36
▸ PPARA Q07869 1/20 0.36
▸ ALDH1A1 P00352 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ NPSR1 Q6W5P4 2/20 0.35
▸ SLC6A2 P23975 1/20 0.35
▸ SLC6A4 P31645 1/20 0.35
▸ SLC6A3 Q01959 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ ATM Q13315 1/20 0.34
▸ HTR2A P28223 1/20 0.34
▸ HTR2C P28335 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ CYP1A2 P05177 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33

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
SCHEMBL11517432 0.82 ATM (0.40) L3MBTL1MAOBAOC3MAPTPPARG
SCHEMBL11661775 0.80 RELA (0.35) MAOBAOC3POLBSLC6A2SLC6A4
SCHEMBL11663924 0.79 CA4 (0.35) L3MBTL1ATM
SCHEMBL11663978 0.76 L3MBTL1 (0.41) L3MBTL1MAOBAOC3MAPTPPARG
SCHEMBL11662620 0.75 HTR2A (0.47) L3MBTL1MAOBMAPTPOLBSLC6A4
SCHEMBL2737127 0.73 L3MBTL1 (0.47) L3MBTL1MAOBAOC3MAPTPPARG
SCHEMBL11662235 0.73 MAOB (0.49) L3MBTL1MAOBAOC3ALDH1A1POLB
SCHEMBL11663079 0.72 HTR2A (0.47) MAOBMAPTALDH1A1SLC6A4KDM4E
SCHEMBL11610243 0.72 PPARG (0.40) L3MBTL1MAOBAOC3MAPTPPARG
SCHEMBL8709433 0.72 L3MBTL1 (0.50) L3MBTL1MAOBAOC3MAPTALDH1A1

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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