SCHEMBL8063995

SCHEMBL8063995

O=C(/C=C/c1ccccc1Br)Nc1cccc(C(=O)O)c1Cl

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.63
TRPM8 Q7Z2W7 4/20 0.63
EGFR P00533 2/20 0.52
TRPM2 O94759 1/20 0.48
LTB4R Q15722 1/20 0.48
HSD11B1 P28845 1/20 0.47
NPC1 O15118 6/20 0.46
RAB9A P51151 6/20 0.46
MEN1 O00255 5/20 0.46
KMT2A Q03164 5/20 0.46
SMN1; SMN2 Q16637 5/20 0.46
MAPT P10636 3/20 0.46
ALDH1A1 P00352 2/20 0.46
HPGD P15428 2/20 0.46
KDM4E B2RXH2 2/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
POLB P06746 1/20 0.46
APEX1 P27695 1/20 0.46
RECQL P46063 1/20 0.46

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
SCHEMBL8063998 1.00 TRPA1 (0.63) TRPA1TRPM8EGFRTRPM2LTB4R
SCHEMBL2780616 0.88 TRPA1 (0.71) TRPA1TRPM8EGFRTRPM2LTB4R
SCHEMBL2780618 0.88 TRPA1 (0.71) TRPA1TRPM8EGFRTRPM2LTB4R
SCHEMBL8060365 0.81 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2MEN1
SCHEMBL8144449 0.81 GRIK1 (0.62) TRPA1TRPM8EGFRMEN1KMT2A
SCHEMBL8144447 0.81 GRIK1 (0.62) TRPA1TRPM8EGFRMEN1KMT2A
SCHEMBL8060362 0.81 TRPA1 (0.58) TRPA1TRPM8EGFRTRPM2MEN1
SCHEMBL2779338 0.78 TRPA1 (1.00) TRPA1TRPM8EGFRTRPM2LTB4R
SCHEMBL2779340 0.78 TRPA1 (1.00) TRPA1TRPM8EGFRTRPM2LTB4R
SCHEMBL8635715 0.77 TRPA1 (0.78) TRPA1TRPM8TRPM2LTB4RNPC1

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-6046239-A USED IN THE TREATMENT OF DISORDERS ASSOCIATED WITH SMOOTH MUSCLE CONTRACTION, VIA POTASSIUM CHANNEL AND CHLORIDE CHANNEL MODULATION SUCH AS URINARY INCONTINENCE, ASTHMA, ANGINA, PREMATURE LABOR, CONGESTIVE HEART FAILURE AMERICAN HOME PRODUCTS CORPORATION (US) 2000-04-04 US disclosed