SCHEMBL4884498

SCHEMBL4884498

CCC=CCCCCC=CC(=O)NCC

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.44
F7 P08709 3/20 0.44
F3 P13726 3/20 0.44
CYP19A1 P11511 3/20 0.44
MAPT P10636 2/20 0.44
OXER1 Q8TDS5 2/20 0.44
PTGS1 P23219 2/20 0.44
PPARG P37231 2/20 0.44
KMT2A Q03164 2/20 0.44
PPARD Q03181 2/20 0.44
PPARA Q07869 2/20 0.44
KDM4E B2RXH2 1/20 0.44
MEN1 O00255 1/20 0.44
FFAR1 O14842 1/20 0.44
NR1I2 O75469 1/20 0.44
LMNA P02545 1/20 0.44
PLA2G1B P04054 1/20 0.44
CYP3A4 P08684 1/20 0.44
HPGD P15428 1/20 0.44
ALOX15 P16050 1/20 0.44

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
SCHEMBL4884486 1.00 ALDH1A1 (0.44) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL4888803 0.92 CNR1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL302274 0.92 CNR1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL3951480 0.92 CNR1 (0.47) ALDH1A1F7F3CYP19A1MAPT
SCHEMBL2784701 0.88 PSMB11 (0.42) MAPTCNR1EPHX2CNR2PSMB11
SCHEMBL4408974 0.87 PSMB11 (0.51) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL4882014 0.87 PSMB11 (0.51) CNR1CNR2PSMB11PSMA7PSMB1
SCHEMBL10016301 0.85 CNR1 (0.55) MAPTPPARGPPARALMNAALOX15
SCHEMBL9776250 0.84 CNR1 (0.46) F7F3PPARGPPARACNR1
SCHEMBL12127403 0.83

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-20080038386-A1 Use of a liquid cooling sensate to provide a pungent, warming or tingling sensate composition MOZA ASHOK K 2008-02-14 US disclosed