SCHEMBL7654715

SCHEMBL7654715

[CH2]CCCCc1ccc(C2CCCC2)cc1

nearest known ligand 0.49

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 12/20 0.49
SPHK2 Q9NRA0 7/20 0.42
FFAR4 Q5NUL3 1/20 0.42
SIGMAR1 Q99720 2/20 0.41
MEN1 O00255 1/20 0.41
TP53 P04637 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41
TSHR P16473 1/20 0.41
CYP2C19 P33261 1/20 0.41
KMT2A Q03164 1/20 0.41

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
SCHEMBL7651816 0.98 SPHK1 (0.47) SPHK1SPHK2FFAR4SIGMAR1MEN1
SCHEMBL7650285 0.98 SPHK1 (0.51) SPHK1SPHK2FFAR4SIGMAR1MEN1
SCHEMBL7647363 0.96 SPHK1 (0.50) SPHK1SPHK2FFAR4SIGMAR1
SCHEMBL7652663 0.94 SPHK1 (0.46) SPHK1SPHK2FFAR4SIGMAR1MEN1
SCHEMBL7650177 0.93 SPHK1 (0.45) SPHK1SPHK2FFAR4SIGMAR1
SCHEMBL3146239 0.86 SPHK1 (0.41) SPHK1FFAR4CYP3A4CYP2D6
SCHEMBL5544467 0.85 SPHK1 (0.40) SPHK1KMT2A
SCHEMBL11336354 0.81 SPHK1 (0.71) SPHK1SPHK2TP53CYP3A4
SCHEMBL5678879 0.80 SPHK1 (0.69) SPHK1SPHK2TP53CYP3A4
SCHEMBL7650842 0.80 DRD2 (0.45) SIGMAR1MEN1TP53CYP1A2CYP3A4

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
US-6492364-B1 Triazolo and derivatives as chemokine inhibitors TORAY INDUSTRIES, INC. (JP) 2002-12-10 US 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