SCHEMBL26849986

SCHEMBL26849986

Cc1ccc(CCOc2ccc(COc3cncc(-c4ccc(C=O)cc4C)c3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAOB P27338 6/20 0.46
▸ MAOA P21397 5/20 0.46
▸ FFAR1 O14842 4/20 0.41
▸ RAB9A P51151 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ HPGD P15428 2/20 0.37
▸ ALDH1A1 P00352 1/20 0.36
▸ LMNA P02545 1/20 0.36
▸ MAPT P10636 1/20 0.36
▸ FFAR4 Q5NUL3 2/20 0.35
▸ PARP10 Q53GL7 1/20 0.35
▸ SPHK2 Q9NRA0 1/20 0.35

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
SCHEMBL26849976 0.92 MAOB (0.37) MAOBMAOAFFAR1RAB9ANPC1
SCHEMBL24628668 0.90 MAOA (0.35) MAOBMAOAFFAR1RAB9ANPC1
SCHEMBL26849985 0.78 MAOA (0.48) MAOBMAOAFFAR1RAB9ANPC1
SCHEMBL24619989 0.77 CYP11B1 (0.44) TDP1KDM4EHPGDALDH1A1MAPT
SCHEMBL26849862 0.76 LNPEP (0.48) FFAR1RAB9ANPC1SMN1; SMN2MAPT
SCHEMBL2232274 0.74 ALDH1A1 (0.61) MAOBMAOAFFAR1RAB9ANPC1
SCHEMBL2231854 0.74 ALDH1A1 (0.61) MAOBMAOAFFAR1RAB9ANPC1
SCHEMBL24629022 0.74 MAOB (0.51) MAOBMAOAFFAR1RAB9ANPC1
SCHEMBL864257 0.71 MAOB (0.67) MAOBMAOARAB9ANPC1SMN1; SMN2
SCHEMBL4056179 0.71 MAOB (0.67) MAOBMAOARAB9ANPC1SMN1; SMN2

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-4279476-A1 METHOD FOR ALKYLATING ACIDIC FUNCTIONAL GROUP CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 2023-11-22 — — EP disclosed
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