SCHEMBL7652971

SCHEMBL7652971

[CH2]CCCCCc1cc(Oc2ccccc2)cc2ccccc12

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 4/20 0.34
ESR2 Q92731 4/20 0.34
LTA4H P09960 2/20 0.34
TSHR P16473 1/20 0.34
PGR P06401 1/20 0.33
KDM4E B2RXH2 1/20 0.33
GLA P06280 1/20 0.33
MAPT P10636 1/20 0.33
KMT2A Q03164 1/20 0.33
TRPM8 Q7Z2W7 1/20 0.32
KCNA3 P22001 1/20 0.32

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
SCHEMBL7646978 0.99 LTA4H (0.35) ESR1ESR2LTA4HTSHRPGR
SCHEMBL7648253 0.94 LTA4H (0.36) ESR1ESR2LTA4HTSHRPGR
SCHEMBL7650776 0.88 LTA4H (0.39) LTA4HTSHRPGRKDM4EGLA
SCHEMBL7654683 0.82 LTA4H (0.41) LTA4HTSHRPGRKDM4EGLA
SCHEMBL7649355 0.78 CHRNA7 (0.37) KDM4EMAPTKMT2A
SCHEMBL7655581 0.76 HTR6 (0.37) ESR1ESR2KDM4EMAPTKMT2A
SCHEMBL7652962 0.76 CYP1A2 (0.46) MAPT
SCHEMBL25016073 0.75 L3MBTL1 (0.44) LTA4HTSHRPGRKDM4EGLA
SCHEMBL15345467 0.75 HTR2A (0.44) LTA4HTSHRKMT2ATRPM8
SCHEMBL7763131 0.74 NQO2 (0.47) KDM4EGLAMAPTKMT2A

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