SCHEMBL11024895

SCHEMBL11024895

CCCCc1c(C)c(O)cc2ccccc12

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NCEH1 Q6PIU2 1/20 0.45
HPGD P15428 4/20 0.44
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
TRPM4 Q8TD43 1/20 0.44
KDM4E B2RXH2 5/20 0.43
ALDH1A1 P00352 4/20 0.43
HSD17B10 Q99714 3/20 0.43
CYP1A2 P05177 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
LMNA P02545 1/20 0.40
MAPT P10636 3/20 0.40
PTPN1 P18031 2/20 0.39
GAA P10253 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
HTR2A P28223 1/20 0.39

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
SCHEMBL10976271 0.88 HPGD (0.50) NCEH1HPGDNPC1MAPK1HTT
SCHEMBL30689889 0.88 HPGD (0.50) NCEH1HPGDNPC1MAPK1HTT
SCHEMBL6545326 0.87 HPGD (0.47) NCEH1HPGDNPC1MAPK1HTT
SCHEMBL8517831 0.84 HPGD (0.43) NCEH1HPGDNPC1MAPK1HTT
SCHEMBL11221674 0.83 MAPT (0.47) NCEH1HPGDNPC1MAPK1HTT
SCHEMBL2126066 0.83 NCEH1 (0.43) NCEH1HPGDRAB9AKDM4EALDH1A1
SCHEMBL7915017 0.82 HTR2A (0.52) NCEH1HPGDNPC1KDM4EALDH1A1
SCHEMBL10933274 0.82 ALOX5 (0.49) HPGDTRPM4KDM4EALDH1A1HSD17B10
SCHEMBL21569596 0.80 NCEH1 (0.46) NCEH1HPGDNPC1MAPK1HTT
SCHEMBL28860671 0.80 SLC37A4 (0.51) NCEH1HPGDKDM4EALDH1A1HSD17B10

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-0083428-B1 PROCESS FOR PRODUCING BETA-NAPHTHOLS NOT SUBSTITUTED IN POSITION 1 AND SUBSTITUTED BY ARALIPHATIC GROUPS BASF Aktiengesellschaft (DE) 1985-07-10 EP disclosed
EP-0083428-A1 Process for producing beta-naphthols not substituted in position 1 and substituted by araliphatic groups BASF Aktiengesellschaft (DE) 1983-07-13 EP disclosed