SCHEMBL7650285

SCHEMBL7650285

[CH2]CCCCCc1ccc(C2CCCC2)cc1

nearest known ligand 0.51

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
SPHK1 Q9NYA1 13/20 0.51
SPHK2 Q9NRA0 7/20 0.44
SIGMAR1 Q99720 2/20 0.43
FFAR4 Q5NUL3 1/20 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
SCHEMBL7647363 0.98 SPHK1 (0.50) SPHK1SPHK2SIGMAR1FFAR4
SCHEMBL7654715 0.98 SPHK1 (0.49) SPHK1SPHK2SIGMAR1FFAR4MEN1
SCHEMBL7651816 0.96 SPHK1 (0.47) SPHK1SPHK2SIGMAR1FFAR4MEN1
SCHEMBL7652663 0.93 SPHK1 (0.46) SPHK1SPHK2SIGMAR1FFAR4MEN1
SCHEMBL7650177 0.91 SPHK1 (0.45) SPHK1SPHK2SIGMAR1FFAR4
SCHEMBL3146239 0.85 SPHK1 (0.41) SPHK1FFAR4CYP3A4CYP2D6
SCHEMBL5544467 0.83 SPHK1 (0.40) SPHK1KMT2A
SCHEMBL28063062 0.82 SPHK1 (0.73) SPHK1SPHK2TP53CYP3A4
SCHEMBL11278530 0.81 SPHK1 (0.71) SPHK1SPHK2TP53CYP3A4
SCHEMBL9392844 0.81 SPHK1 (0.52) SPHK1SPHK2FFAR4

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
CN-1149214-C Triazolo gerivatives and chemokine inhibitors containing the same as the active ingredient ������������ʽ���� 2004-05-12 CN 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