SCHEMBL26344003

SCHEMBL26344003

C=C(CC(=C)c1ccc(Cl)cc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ MAOA P21397 5/20 0.57
▸ MAOB P27338 5/20 0.57
▸ CES2 O00748 1/20 0.54
▸ CES1 P23141 1/20 0.54
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 2/20 0.44
▸ KMT2A Q03164 1/20 0.44
▸ PTGES2 Q9H7Z7 1/20 0.44
▸ PTGS2 P35354 2/20 0.43
▸ ALOX15 P16050 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ERCC5 P28715 1/20 0.42
▸ FEN1 P39748 1/20 0.42
▸ POLB P06746 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42

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
SCHEMBL28905442 0.84 MAOA (0.46) MAOAMAOBCES2CES1MAPT
SCHEMBL3695975 0.79 CES2 (0.60) MAOAMAOBCES2CES1MAPT
SCHEMBL2448732 0.79 L3MBTL1 (0.52) MAOAMAOBCES2CES1MAPT
SCHEMBL28552018 0.79 L3MBTL1 (0.61) MAOAMAOBCES2CES1MAPT
SCHEMBL29235126 0.79 GPR139 (0.58) MAOAMAOBCES2CES1MAPT
SCHEMBL29473459 0.75 MAOB (0.58) MAOAMAOBCES2CES1MAPT
SCHEMBL10673423 0.75 MAOA (0.57) MAOAMAOBCES2CES1MAPT
SCHEMBL599285 0.74 KMT2A (0.74) CES2CES1MAPTL3MBTL1NPC1
SCHEMBL11606610 0.74 KMT2A (0.74) CES2CES1MAPTL3MBTL1NPC1
SCHEMBL14119105 0.74 CES2 (0.65) MAOBCES2CES1MAPTL3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4248957-A1 METHOD FOR TREATING NON-ALCOHOLIC STEATOHEPATITIS THROUGH CO-ADMINISTRATION OF CURCUMIN DERIVATIVE AND TGF-? RECEPTOR INHIBITOR University Industry Foundation, Yonsei University Wonju Campus (KR) 2023-09-27 — — EP disclosed
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