SCHEMBL11295640

SCHEMBL11295640

C=CC(=C)c1ccc(O)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.56
ABAT P80404 1/20 0.56
MAPT P10636 5/20 0.55
HSD17B10 Q99714 4/20 0.55
HTT P42858 2/20 0.55
GFER P55789 1/20 0.55
GPR55 Q9Y2T6 1/20 0.55
LMNA P02545 5/20 0.44
ESR1 P03372 5/20 0.44
MEN1 O00255 4/20 0.44
KMT2A Q03164 4/20 0.44
CYP3A4 P08684 3/20 0.44
ALOX15 P16050 3/20 0.44
HIF1A Q16665 3/20 0.44
NR3C1 P04150 2/20 0.44
TP53 P04637 2/20 0.44
CYP1A2 P05177 2/20 0.44
ADORA3 P0DMS8 2/20 0.44
CYP2D6 P10635 2/20 0.44
CYP2C9 P11712 2/20 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
SCHEMBL8236745 0.77 MASP2 (0.42) ALDH5A1ABATMAPTHSD17B10LMNA
SCHEMBL22903637 0.77 CES2 (0.44) MAPTLMNAMEN1KMT2AALOX15
SCHEMBL52041 0.77 CES2 (0.44) MAPTLMNACYP3A4ALOX15CA1
SCHEMBL8966417 0.77 ALDH1A1 (0.55) ALDH5A1ABATMAPTHSD17B10ESR1
SCHEMBL1073763 0.77 ALDH1A1 (0.44) MAPTHTTLMNAMEN1KMT2A
SCHEMBL18689504 0.77 CES2 (0.44) MAPTCA1CA2NPC1RAB9A
SCHEMBL3628327 0.77 MAPT (0.52) ALDH5A1ABATMAPTHSD17B10HTT
SCHEMBL14340575 0.77 MAPT (0.46) ALDH5A1ABATMAPTHSD17B10HTT
SCHEMBL7190703 0.76 ALDH5A1 (0.58) ALDH5A1ABATMAPTHSD17B10HTT
SCHEMBL108144 0.76 AKT1 (0.54) MAPTHSD17B10LMNAMEN1KMT2A

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-4328361-A Novel process THE UPJOHN COMPANY (US) 1982-05-04 US disclosed