SCHEMBL7654083

SCHEMBL7654083

[CH2]CCCCCc1cc(CCC)cc2ccccc12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.40
TLR8 Q9NR97 3/20 0.36
MTNR1A P48039 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
ATM Q13315 1/20 0.35
LIPG Q9Y5X9 1/20 0.34
GAA P10253 3/20 0.34
KDM4E B2RXH2 2/20 0.34
ALDH1A1 P00352 2/20 0.34
HPGD P15428 2/20 0.34
USP2 O75604 1/20 0.34
GLA P06280 1/20 0.34
CYP3A4 P08684 1/20 0.34
CASP1 P29466 1/20 0.34
CASP7 P55210 1/20 0.34
HSD17B10 Q99714 1/20 0.34
MEN1 O00255 1/20 0.32
POLB P06746 1/20 0.32
KMT2A Q03164 1/20 0.32
AKR1B1 P15121 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
SCHEMBL7649224 0.98 MAPT (0.38) MAPTTLR8MTNR1AGPR84ATM
SCHEMBL7654463 0.94 MTNR1A (0.37) MAPTTLR8MTNR1AGPR84ATM
SCHEMBL7650850 0.88 MTNR1A (0.39) MAPTMTNR1AGPR84ATMGAA
SCHEMBL8563043 0.84 MAPT (0.50) MAPTTLR8LIPGGAAKDM4E
SCHEMBL11780513 0.84 MAPT (0.50) MAPTTLR8LIPGGAAKDM4E
SCHEMBL7650985 0.83 GPR84 (0.39) MAPTMTNR1AGPR84ATMGAA
SCHEMBL27279895 0.81 TLR8 (0.45) MAPTTLR8ALDH1A1HPGD
SCHEMBL7652962 0.80 CYP1A2 (0.46) MAPTTLR8CYP3A4
SCHEMBL11055022 0.79 ATM (0.47) MAPTMTNR1AGPR84ATMGAA
SCHEMBL7649355 0.79 CHRNA7 (0.37) MAPTMTNR1AKDM4EALDH1A1HPGD

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