SCHEMBL10794643

SCHEMBL10794643

CCc1c(C)c2c(O)cccc2oc1=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.52
NPC1 O15118 1/20 0.52
RAB9A P51151 1/20 0.52
KDM4E B2RXH2 6/20 0.50
ALDH1A1 P00352 4/20 0.50
GAA P10253 3/20 0.46
CASP1 P29466 3/20 0.46
CASP7 P55210 3/20 0.46
HSD17B10 Q99714 3/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
NQO1 P15559 1/20 0.46
GLA P06280 1/20 0.45
ESR1 P03372 2/20 0.44
ESR2 Q92731 2/20 0.44
MAOA P21397 2/20 0.44
NPSR1 Q6W5P4 1/20 0.44
RXFP1 Q9HBX9 1/20 0.44
ALOX5 P09917 1/20 0.43

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
SCHEMBL10790913 0.88 HSD17B3 (0.56) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10791228 0.87 MAPT (0.49) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10795690 0.87 NQO1 (0.48) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10790406 0.85 SRC (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL4867725 0.83 ELANE (0.47) MAPTKDM4EALDH1A1HSD17B10HPGD
SCHEMBL5085076 0.83 TP53 (0.51) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10791890 0.83 KDM4E (0.50) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10790308 0.83 KDM4E (0.55) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10791670 0.82 HSD17B3 (0.44) MAPTNPC1RAB9AKDM4EALDH1A1
SCHEMBL10791740 0.81 HSD17B3 (0.46) MAPTNPC1RAB9AALDH1A1LMNA

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
EP-0111746-B1 SULFONIC-ACID ESTERS OF HYDROXYCOUMARINES, THEIR PREPARATION AND MEDICINES CONTAINING THEM BASF Aktiengesellschaft (DE) 1987-09-16 EP disclosed
US-4618622-A ANTIDEPRESSANTS, ANTIALLERGENS BASF AKTIENGESELLSCHAFT (DE) 1986-10-21 US disclosed