SCHEMBL15219985

SCHEMBL15219985

CC(=O)N(C)CCc1ccc2c(c1)OCO2

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 2/20 0.56
CALM1 P0DP23 2/20 0.52
TSHR P16473 2/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
LMNA P02545 1/20 0.52
RAB9A P51151 1/20 0.52
TAAR1 Q96RJ0 1/20 0.51
TRPM8 Q7Z2W7 1/20 0.51
ALDH1A1 P00352 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP2C19 P33261 1/20 0.50
HDAC1 Q13547 2/20 0.49
HDAC3 O15379 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
SIGMAR1 Q99720 2/20 0.48
HSP90AA1 P07900 1/20 0.48

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
SCHEMBL12632572 0.85 HSP90AA1 (0.60) CYP3A4TSHRSMN1; SMN2LMNAALDH1A1
SCHEMBL25519810 0.81 TAAR1 (0.61) CYP3A4CALM1TAAR1CYP1A2SIGMAR1
SCHEMBL30101707 0.81 TAAR1 (0.61) CYP3A4CALM1TAAR1CYP1A2SIGMAR1
SCHEMBL4885125 0.79 TRPM8 (0.62) CYP3A4SMN1; SMN2RAB9ATRPM8ALDH1A1
SCHEMBL4885116 0.79 TRPM8 (0.62) CYP3A4SMN1; SMN2RAB9ATRPM8ALDH1A1
SCHEMBL7406 0.78 CYP3A4 (0.62) CYP3A4CALM1TSHRSMN1; SMN2LMNA
SCHEMBL29364835 0.78 CYP3A4 (0.62) CYP3A4CALM1TSHRSMN1; SMN2LMNA
SCHEMBL29261909 0.78 TAAR1 (0.61) CYP3A4CALM1TAAR1TRPM8ALDH1A1
SCHEMBL24883650 0.78 TAAR1 (0.53) CYP3A4CALM1TSHRTAAR1TRPM8
SCHEMBL9425769 0.78 TRPM8 (0.67) CYP3A4CALM1SMN1; SMN2RAB9ATAAR1

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
EP-2529632-B1 Cinnamic acid amides as spicy flavour agents SYMRISE AG (DE) 2013-08-28 EP disclosed