SCHEMBL5010695

SCHEMBL5010695

[CH2]CCCc1c(-c2ccccc2)ccc2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 5/20 0.37
CYP1A2 P05177 5/20 0.37
CYP2C19 P33261 4/20 0.37
CYP2C9 P11712 3/20 0.37
ALDH1A1 P00352 6/20 0.36
KDM4E B2RXH2 6/20 0.36
HPGD P15428 4/20 0.36
GAA P10253 3/20 0.36
MCL1 Q07820 2/20 0.36
GLA P06280 1/20 0.36
TSHR P16473 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP2A6 P11509 1/20 0.35
MAPT P10636 6/20 0.35
TAAR1 Q96RJ0 1/20 0.35
MEN1 O00255 1/20 0.35
MPI P34949 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP1A1 P04798 2/20 0.35
CYP1B1 Q16678 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
SCHEMBL7651008 0.95 MCL1 (0.38) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7654701 0.94 MCL1 (0.37) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7653838 0.90 HSD17B10 (0.39) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL11081853 0.83 NCEH1 (0.48) HSD17B10CYP1A2ALDH1A1KDM4EHPGD
SCHEMBL7648626 0.82 HSD17B10 (0.41) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL6058803 0.82 GCGR (0.47) HSD17B10CYP1A2CYP2C19ALDH1A1KDM4E
SCHEMBL1537096 0.79 ALDH1A1 (0.50) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7653479 0.77 TSHR (0.48) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL7913584 0.77 HSD17B10 (0.47) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1
SCHEMBL8048855 0.76 CYP2A6 (0.47) HSD17B10CYP1A2CYP2C19CYP2C9ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080207864-A1 Organosilanes, Process For Production of the Same, and Use Thereof SHARP KABUSHIKI KAISHA (JP) 2008-08-28 US disclosed
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US disclosed
CN-1293674-A Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient TORAY INDUSTRIES (JP) 2001-05-02 CN disclosed
EP-1067130-A1 TRIAZOLO DERIVATIVES AND CHEMOKINE INHIBITORS CONTAINING THE SAME AS THE ACTIVE INGREDIENT TORAY INDUSTRIES, INC. (JP) 2001-01-10 EP disclosed