SCHEMBL13159378

SCHEMBL13159378

CCC(C#N)CC(C)c1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 0.51
TAAR1 Q96RJ0 3/20 0.44
AOC3 Q16853 2/20 0.40
LMNA P02545 1/20 0.39
TSHR P16473 1/20 0.39
RIPK1 Q13546 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
KDM4E B2RXH2 1/20 0.39
USP2 O75604 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
HTT P42858 1/20 0.39
HSD17B10 Q99714 1/20 0.39
MIF P14174 1/20 0.37

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
SCHEMBL13343454 0.89 TRPA1 (0.46) TRPA1TAAR1AOC3LMNATSHR
SCHEMBL10455235 0.82 CYP2A6 (0.41) TRPA1LMNATSHRMEN1KMT2A
SCHEMBL10455173 0.80 TRPA1 (0.33) TRPA1TSHRMEN1KMT2AALDH1A1
SCHEMBL10490930 0.79 TRPA1 (0.52) TRPA1TAAR1AOC3TSHRRIPK1
SCHEMBL9490631 0.78 TRPA1 (0.67) TRPA1TAAR1AOC3LMNATSHR
SCHEMBL19354514 0.76 TRPA1 (0.48) TRPA1TAAR1AOC3TSHRRIPK1
SCHEMBL27637808 0.76 HRH1 (0.42) TRPA1TAAR1LMNATSHRMEN1
Water SCHEMBL27860324 0.75 TAAR1 (0.58) TRPA1TAAR1AOC3LMNATSHR
SCHEMBL19342876 0.75 RIPK1 (0.38) TRPA1TAAR1AOC3LMNATSHR
SCHEMBL19450462 0.75 RIPK1 (0.45) TRPA1TAAR1AOC3TSHRRIPK1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7795355-B2 Preparation of functional polymers CARNEGIE MELLON UNIVERSITY (US) 2010-09-14 US disclosed
US-20070244265-A1 Preparation of Functional Polymers CARNEGIE MELLON UNIVERSITY 2007-10-18 US disclosed