SCHEMBL7654683

SCHEMBL7654683

[CH2]Cc1cc(Oc2ccccc2)cc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 5/20 0.41
TSHR P16473 1/20 0.41
KMT2A Q03164 2/20 0.38
KDM4E B2RXH2 1/20 0.38
GLA P06280 1/20 0.38
MAPT P10636 1/20 0.38
NPC1 O15118 2/20 0.36
RAB9A P51151 2/20 0.36
MEN1 O00255 1/20 0.36
NLRP3 Q96P20 1/20 0.36
MAOB P27338 1/20 0.35
PGR P06401 2/20 0.35
NR1H2 P55055 1/20 0.34
BAX Q07812 1/20 0.34
MAOA P21397 1/20 0.34
RHEB Q15382 1/20 0.34
GSTP1 P09211 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
SCHEMBL7650776 0.87 LTA4H (0.39) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7648253 0.84 LTA4H (0.36) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7646978 0.83 LTA4H (0.35) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL15345467 0.83 HTR2A (0.44) LTA4HTSHRKMT2ANPC1RAB9A
SCHEMBL25016073 0.83 L3MBTL1 (0.44) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL7652971 0.82 ESR1 (0.34) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL5252235 0.81 MEN1 (0.48) KMT2AMAPTMEN1
SCHEMBL27599864 0.79 ALOX5 (0.56) KMT2AMAPTNPC1RAB9AMEN1
SCHEMBL25016118 0.79 LTA4H (0.38) LTA4HTSHRKMT2AKDM4EGLA
SCHEMBL2093286 0.78 L3MBTL1 (0.40) LTA4HKMT2AKDM4EMAPTRAB9A

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