SCHEMBL9772596

SCHEMBL9772596

CCCOc1cccc(C(=O)c2ccc[nH]2)c1

nearest known ligand 0.61

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.61
▸ NR1H4 Q96RI1 1/20 0.49
▸ LMNA P02545 2/20 0.48
▸ MAPK1 P28482 2/20 0.48
▸ L3MBTL1 Q9Y468 1/20 0.48
▸ SMPD1 P17405 3/20 0.47
▸ SMN1; SMN2 Q16637 3/20 0.46
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 0.46
▸ KAT6A Q92794 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ FABP1 P07148 1/20 0.45
▸ ADRB2 P07550 1/20 0.45
▸ ADRB1 P08588 1/20 0.45
▸ ADRB3 P13945 1/20 0.45
▸ PLA2G4B P0C869 1/20 0.44
▸ MEN1 O00255 1/20 0.44

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
SCHEMBL27913517 0.84 KMT2A (0.78) KMT2ANR1H4LMNAMAPK1L3MBTL1
SCHEMBL11696519 0.83 KMT2A (0.77) KMT2ANR1H4LMNAMAPK1L3MBTL1
SCHEMBL11871480 0.81 CES2 (0.57) KMT2ALMNAL3MBTL1SMN1; SMN2NPC1
SCHEMBL1436064 0.76 KMT2A (0.76) KMT2ANR1H4SMPD1SMN1; SMN2MAPT
SCHEMBL609434 0.76 KMT2A (1.00) KMT2ANR1H4LMNASMPD1SMN1; SMN2
SCHEMBL27361680 0.76 CES2 (0.54) KMT2ALMNAMAPK1SMN1; SMN2NPC1
SCHEMBL9772719 0.76 KAT6A (0.43) SMN1; SMN2RAB9AKAT6A
SCHEMBL18917586 0.76 LMNA (0.69) KMT2ANR1H4LMNAMAPK1L3MBTL1
SCHEMBL5200730 0.75 KMT2A (0.73) KMT2ANR1H4LMNAMAPK1SMPD1
SCHEMBL7769343 0.75 KMT2A (0.73) KMT2ANR1H4LMNAMAPK1SMPD1

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
US-5041442-A Antiulcer agents SYNTEX (U.S.A.) INC. (US) 1991-08-20 — — US disclosed
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