SCHEMBL7650776

SCHEMBL7650776

[CH2]CCc1cc(Oc2ccccc2)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 3/20 0.39
TSHR P16473 1/20 0.39
KMT2A Q03164 3/20 0.36
KDM4E B2RXH2 1/20 0.36
GLA P06280 1/20 0.36
MAPT P10636 1/20 0.36
TRPM8 Q7Z2W7 1/20 0.35
MEN1 O00255 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
NLRP3 Q96P20 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
SCN9A Q15858 1/20 0.34
PGR P06401 2/20 0.33
HRH1 P35367 1/20 0.33
MAOB P27338 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
LMNA P02545 1/20 0.33
CYP3A4 P08684 1/20 0.33

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
SCHEMBL7648253 0.91 LTA4H (0.36) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7646978 0.89 LTA4H (0.35) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7652971 0.88 ESR1 (0.34) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7654683 0.87 LTA4H (0.41) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL25016073 0.80 L3MBTL1 (0.44) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL15345467 0.80 HTR2A (0.44) LTA4HTSHRKMT2ATRPM8MEN1
SCHEMBL25016118 0.76 LTA4H (0.38) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7649102 0.75 HTR6 (0.40) KMT2AKDM4EMAPTMEN1TDP1
SCHEMBL7654726 0.74 LTA4H (0.46) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7364107 0.73 TRPM4 (0.43) TSHRMAPTTDP1

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