SCHEMBL9828092

SCHEMBL9828092

COc1ccc(OC)c2c1CCC(O)(CC(=O)O)C2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RBP1 P09455 1/20 0.40
PTGDR2 Q9Y5Y4 1/20 0.37
PTGER1 P34995 1/20 0.37
PTGER3 P43115 1/20 0.37
PTGIR P43119 1/20 0.37
PTGDR Q13258 1/20 0.37
HTT P42858 1/20 0.36
CYP1A2 P05177 1/20 0.35
SRD5A1 P18405 1/20 0.35
SRD5A2 P31213 1/20 0.35
ALDH1A1 P00352 4/20 0.35
GAA P10253 2/20 0.35
HPGD P15428 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GLA P06280 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.35
TSHR P16473 2/20 0.34
BRD4 O60885 1/20 0.34
POLB P06746 1/20 0.34

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
SCHEMBL10796276 0.79 RBP1 (0.41) RBP1ALDH1A1GAAHPGDKDM4E
SCHEMBL11420697 0.77 ALDH1A1 (0.38) RBP1CYP1A2SRD5A1SRD5A2ALDH1A1
SCHEMBL11219994 0.77 ALDH1A1 (0.38) RBP1CYP1A2SRD5A1SRD5A2ALDH1A1
SCHEMBL11433125 0.77 RBP1 (0.40) RBP1ALDH1A1GAAHPGDKDM4E
SCHEMBL9828660 0.77 HSD17B10 (0.39) ALDH1A1KDM4EHSD17B10TSHR
SCHEMBL11123284 0.74 ALDH1A1 (0.38) RBP1CYP1A2ALDH1A1GAAHPGD
SCHEMBL11123894 0.74 ALDH1A1 (0.38) RBP1CYP1A2ALDH1A1GAAHPGD
SCHEMBL11010508 0.73 ADRA1A (0.38) RBP1CYP1A2SRD5A1SRD5A2ALDH1A1
SCHEMBL28449241 0.73 ADRA1A (0.38) RBP1CYP1A2SRD5A1SRD5A2ALDH1A1
SCHEMBL6817658 0.73 ALDH1A1 (0.42) HTTCYP1A2ALDH1A1GAAHPGD

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-0177960-B1 DERIVATIVES OF TETRAHYDRONAPHTHALENE, PROCESS AND INTERMEDIATES FOR THEIR PREPARATION AND MEDICINES CONTAINING THEM HOFFMANN LA ROCHE (CH) 1991-03-20 EP disclosed
US-4680310-A HYPOTENSIVE AGENTS HOFFMANN-LA ROCHE INC. (US) 1987-07-14 US disclosed
EP-0177960-A2 Derivatives of tetrahydronaphthalene, process and intermediates for their preparation and medicines containing them F. HOFFMANN-LA ROCHE AG (CH) 1986-04-16 EP disclosed