SCHEMBL20138466

SCHEMBL20138466

[CH2]C(C)Oc1c(OC)cc(CC=C)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CCR3 P51677 2/20 0.59
TRPM8 Q7Z2W7 12/20 0.54
ALDH1A1 P00352 3/20 0.53
PPARG P37231 1/20 0.53
PPARD Q03181 1/20 0.53
PPARA Q07869 1/20 0.53
TRPA1 O75762 1/20 0.51
CYP3A4 P08684 2/20 0.49
ALOX5 P09917 1/20 0.49
AR P10275 1/20 0.49
PTGS1 P23219 1/20 0.49
TNKS O95271 1/20 0.48
TNKS2 Q9H2K2 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.47

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
SCHEMBL68542 0.82 ALDH1A1 (0.63) CCR3TRPM8ALDH1A1PPARGPPARD
SCHEMBL27988120 0.81 CCR3 (0.54) CCR3TRPM8ALDH1A1PPARGPPARD
SCHEMBL31005006 0.80 ALDH1A1 (0.61) CCR3TRPM8ALDH1A1PPARGPPARD
Fluoride SCHEMBL28006168 0.80 ALDH1A1 (0.61) CCR3TRPM8ALDH1A1PPARGPPARD
SCHEMBL16933701 0.78 ALDH1A1 (0.50) CCR3TRPM8ALDH1A1PPARGPPARD
SCHEMBL16933899 0.78 ALDH1A1 (0.50) CCR3TRPM8ALDH1A1PPARGPPARD
SCHEMBL17655660 0.77 TNKS (0.59) CCR3TRPM8ALDH1A1PPARGPPARD
Rhaphidecursinol B SCHEMBL28577435 0.77 CCR3 (0.86) CCR3TRPM8TRPA1
Rhaphidecursinol B SCHEMBL28577433 0.77 CCR3 (0.86) CCR3TRPM8TRPA1
SCHEMBL3141953 0.76 ALDH1A1 (0.56) CCR3TRPM8ALDH1A1PPARGPPARD

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-20180132516-A1 POSITIVE ALLOSTERIC MODULATORS OF SWEET TASTE SENSORYGEN INC (US) 2018-05-17 US disclosed