SCHEMBL8105569

SCHEMBL8105569

CC1=C(c2cccs2)C(=O)N(C(C)(C)C=O)CO1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
KDM4E B2RXH2 6/20 0.33
HPGD P15428 3/20 0.33
MAPT P10636 3/20 0.33
MAPK1 P28482 1/20 0.33
CA12 O43570 2/20 0.33
CA9 Q16790 2/20 0.33
SMN1; SMN2 Q16637 3/20 0.32
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
DPP4 P27487 1/20 0.32
SRD5A1 P18405 1/20 0.32
PRKCA P17252 1/20 0.32
GSK3B P49841 1/20 0.32
HSD17B10 Q99714 2/20 0.32
LMNA P02545 1/20 0.32

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
SCHEMBL8105499 0.82 ERCC1 (0.35) ALDH1A1KDM4EHPGDMAPTCA12
SCHEMBL19261245 0.81 LRRK2 (0.36) ALDH1A1KDM4EHPGDMAPTCA12
SCHEMBL8106928 0.79 KMT2A (0.35) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL8097644 0.79 ADORA2A (0.36) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8306741 0.78 HSD17B10 (0.37) ALDH1A1CYP1A2CYP2C9CYP2C19KDM4E
SCHEMBL8106884 0.77 HDAC3 (0.36) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL8113105 0.77 ALDH1A1 (0.36) ALDH1A1CYP1A2KDM4EHPGDMAPT
SCHEMBL8627085 0.77 ADORA1 (0.33) ALDH1A1KDM4EHPGDMAPTSMN1; SMN2
SCHEMBL8106767 0.77 MAPT (0.38) ALDH1A1KDM4EHPGDMAPTCA12
SCHEMBL8305546 0.76 RAB9A (0.39) ALDH1A1KDM4EHPGDMAPTSMN1; 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
US-6046135-A FOR CONTROLLING WEEDS RHONE-POULENC AGRICULTURE LTD (GB) 2000-04-04 US disclosed