SCHEMBL7485380

SCHEMBL7485380

NC1Cc2cc3c(cc2C1O)OCO3

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 3/20 0.50
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 4/20 0.45
CYP2D6 P10635 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 2/20 0.45
HPGD P15428 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
HSD17B10 Q99714 2/20 0.45
GAA P10253 1/20 0.44
DRD2 P14416 2/20 0.41
DRD1 P21728 2/20 0.41
ADRA1A P35348 1/20 0.41
CYP2C19 P33261 2/20 0.39
LMNA P02545 2/20 0.39
TSHR P16473 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
CYP1A2 P05177 1/20 0.38

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
SCHEMBL30666722 0.80 HTR1A (0.49) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL31754798 0.77 HTR1A (0.46) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL13585979 0.75 FYN (0.50) ALDH1A1KDM4EHSD17B10ADRA1AHIF1A
SCHEMBL13747480 0.74 HTR1A (0.43) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL29991864 0.73 TRPM5 (0.36)
SCHEMBL12289080 0.72 CYP3A4 (0.45) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL9146774 0.71 CYP3A4 (0.46) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL29382485 0.71 FYN (0.50) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL5318502 0.71 FYN (0.50) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E
SCHEMBL9311203 0.70 HTR1A (0.50) HTR1ACYP3A4ALDH1A1CYP2D6KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0982305-B1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them SERVIER LAB (FR) 2002-03-06 EP disclosed
US-6153625-A Indan-1-ol compounds ADIR ET COMPAGNIE (FR) 2000-11-28 US disclosed
EP-0982305-A1 Indane-1-ol derivatives, process for their preparation and pharmaceutical compositions containing them ADIR ET COMPAGNIE (FR) 2000-03-01 EP disclosed