SCHEMBL7090001

SCHEMBL7090001

OC=CCCc1ccco1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
TDP1 Q9NUW8 4/20 0.49
USP2 O75604 1/20 0.49
HPGD P15428 1/20 0.49
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
GPR52 Q9Y2T5 1/20 0.40
MAPT P10636 2/20 0.37
RECQL P46063 2/20 0.37
CYP2D6 P10635 1/20 0.37
CASP1 P29466 1/20 0.37
CYP2C19 P33261 1/20 0.37
BLM P54132 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ALOX5 P09917 1/20 0.37
HTR2B P41595 1/20 0.36
GAA P10253 1/20 0.36
KMT2A Q03164 1/20 0.36
CHRM2 P08172 1/20 0.35
EPHX2 P34913 2/20 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
SCHEMBL7956949 0.83
SCHEMBL16153545 0.80 ALDH1A1 (0.49) ALDH1A1TDP1USP2HPGDALOX15
SCHEMBL9725678 0.80 ALDH1A1 (0.49) ALDH1A1TDP1USP2HPGDALOX15
SCHEMBL14660110 0.79
SCHEMBL5642292 0.79
SCHEMBL16153547 0.78 ALDH1A1 (0.47) ALDH1A1TDP1USP2HPGDALOX15
SCHEMBL28444143 0.78 GPR52 (0.54) ALDH1A1TDP1USP2HPGDGPR52
SCHEMBL983428 0.75
SCHEMBL6827852 0.75
SCHEMBL4652397 0.75

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2003075913-A1 TOPICAL COMPOSTIONS COMPRISING FURFURYL DERIVATIVES AND THEIR USE FOR THE TREATMENT OF DERMATOLOGIC DISORDERS GHISALBERTI CARLO (BR) 2003-09-18 WO disclosed
EP-0022162-A1 Process for producing disubstituted 4-hydroxycyclopentenones; monosubstituted cyclopentendiones and 4-hydroxycyclopentenones SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1981-01-14 EP disclosed