SCHEMBL1386433

SCHEMBL1386433

CC(C)(C)c1ccc(CN(CCc2ccc(Cl)c(C(F)(F)F)c2)C(=O)c2c(F)c(Cl)cc3cc[nH]c23)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.35
CDK8 P49336 2/20 0.34
ESRRG P62508 2/20 0.34
TP53 P04637 1/20 0.34
MAPT P10636 1/20 0.34
RAPGEF3 O95398 2/20 0.34
RAPGEF4 Q8WZA2 2/20 0.34
LPAR1 Q92633 1/20 0.34
LPAR5 Q9H1C0 1/20 0.34
TRPM8 Q7Z2W7 1/20 0.33
KDM4A O75164 1/20 0.33
KDM5A P29375 1/20 0.33
KDM5B Q9UGL1 1/20 0.33
GPR84 Q9NQS5 1/20 0.32
PYCR1 P32322 1/20 0.32
HDAC8 Q9BY41 2/20 0.32
HDAC6 Q9UBN7 2/20 0.32
HDAC3 O15379 1/20 0.32
CENPE Q02224 1/20 0.32
PDK1 Q15118 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
SCHEMBL1386237 0.95 ESRRG (0.34) ESRRGTP53MAPTLPAR1LPAR5
SCHEMBL1385947 0.91 ESRRG (0.36) ESRRGTP53MAPTHDAC8HDAC6
SCHEMBL1386968 0.89 MEN1 (0.37) ESRRGTP53MAPTLPAR1LPAR5
SCHEMBL5529673 0.85 CDK8 (0.35) TRPV1CDK8ESRRGRAPGEF3RAPGEF4
SCHEMBL5537737 0.85 GRM5 (0.35) TRPV1CDK8ESRRGRAPGEF3RAPGEF4
SCHEMBL5526900 0.83 KDM4A (0.39) TRPV1CDK8TP53MAPTTRPM8
SCHEMBL1386801 0.83 SIGMAR1 (0.32) ESRRGTP53MAPTCENPE
SCHEMBL1385936 0.83 LPAR1 (0.37) ESRRGTP53MAPTLPAR1LPAR5
SCHEMBL12520972 0.81 TRPM8 (0.37) ESRRGTP53MAPTRAPGEF3RAPGEF4
SCHEMBL5528436 0.80 TRPM8 (0.34) CDK8TRPM8KDM4AKDM5AKDM5B

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4787254-B2 2011-10-05 JP claimed