SCHEMBL8957429

SCHEMBL8957429

O=C(CNC(=O)c1ccccc1)Oc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.62
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 4/20 0.62
SPHK2 Q9NRA0 1/20 0.56
NR4A1 P22736 1/20 0.55
NR4A2 P43354 1/20 0.55
NR4A3 Q92570 1/20 0.55
ITGB3 P05106 1/20 0.54
ITGA2B P08514 1/20 0.54
ALDH1A1 P00352 2/20 0.54
MAPT P10636 1/20 0.54
HDAC3 O15379 2/20 0.53
HDAC1 Q13547 2/20 0.53
HDAC2 Q92769 2/20 0.53
NCOR2 Q9Y618 1/20 0.53
NR1H4 Q96RI1 1/20 0.53
HDAC4 P56524 1/20 0.53
HDAC7 Q8WUI4 1/20 0.53
HDAC10 Q969S8 1/20 0.53
HDAC11 Q96DB2 1/20 0.53

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
SCHEMBL834204 0.86 SMN1; SMN2 (0.61) NPC1RAB9ASMN1; SMN2SPHK2NR4A1
SCHEMBL8957448 0.85 SMN1; SMN2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1LMNA
SCHEMBL27554309 0.85 SMN1; SMN2 (0.56) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL8572591 0.85 SMN1; SMN2 (0.55) NPC1RAB9ASMN1; SMN2SPHK2NR4A1
SCHEMBL1222408 0.84 ITGB3 (0.73) NPC1RAB9ASMN1; SMN2SPHK2NR4A1
SCHEMBL28891518 0.84 SMN1; SMN2 (0.54) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
Monobenzone SCHEMBL8957440 0.83 ITGB3 (0.64) NPC1RAB9ASMN1; SMN2SPHK2NR4A1
SCHEMBL832428 0.83 HDAC1 (0.56) NPC1RAB9ASMN1; SMN2SPHK2NR4A1
SCHEMBL1222607 0.83 RAB9A (0.65) NPC1RAB9ASMN1; SMN2SPHK2NR4A1
SCHEMBL25870996 0.82 NR4A1 (0.66) NPC1RAB9ASMN1; SMN2SPHK2NR4A1

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-5527523-A PIGMENT-REMOVING ACTIVITY VIRBAC S.A. (FR) 1996-06-18 US disclosed