SCHEMBL4128151

SCHEMBL4128151

C=C(CC=Cc1ccccc1)C(=O)OC1CCC1

nearest known ligand 0.47

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PAM P19021 1/20 0.47
MAOB P27338 2/20 0.41
KDM4E B2RXH2 1/20 0.39
TRPM8 Q7Z2W7 1/20 0.36
AGTR2 P50052 2/20 0.36
F2 P00734 1/20 0.36
PRSS1 P07477 1/20 0.36
MCHR1 Q99705 1/20 0.36
CHRM3 P20309 1/20 0.36
HTR2A P28223 1/20 0.36
HTR2C P28335 1/20 0.36
HTR2B P41595 1/20 0.36
SIGMAR1 Q99720 1/20 0.36
MAOA P21397 1/20 0.35

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
SCHEMBL2059931 0.96 PAM (0.46) PAMMAOBKDM4ETRPM8CHRM3
Methacrylic Acid SCHEMBL2060121 0.90 PAM (0.41) PAMMAOBKDM4ETRPM8CHRM3
SCHEMBL10812184 0.83 PAM (0.41) PAMMAOBKDM4E
SCHEMBL27901586 0.81 PAM (0.58) PAMMAOBMAOA
SCHEMBL5608312 0.79 PAM (0.59) PAMMAOBMAOA
SCHEMBL6854825 0.79 TRPM8 (0.45) MAOBTRPM8
Urethane SCHEMBL27799195 0.77 MEN1 (0.35) PAMKDM4ECHRM3
SCHEMBL96726 0.77 PAM (0.56) PAMMAOBMAOA
SCHEMBL4131290 0.77 GABRR1 (0.31)
SCHEMBL9244122 0.76 PAM (0.54) PAMMAOBMAOA

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
US-20090253834-A1 ADHESIVE COMPOSITIONS USEFUL IN FLEXIBLE CIRCUIT SUBSTRATE APPLICATIONS AND METHODS RELATING THERETO E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-10-08 US disclosed