SCHEMBL9725439

SCHEMBL9725439

CCC(C)CC(C=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 7/20 0.40
LMNA P02545 3/20 0.39
FFAR1 O14842 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
TAAR1 Q96RJ0 3/20 0.35
POLB P06746 1/20 0.34
CAPN1 P07384 1/20 0.34
CYP2D6 P10635 1/20 0.33
HSD17B10 Q99714 1/20 0.33

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
SCHEMBL28927450 0.86 TRPA1 (0.42) TRPA1POLB
SCHEMBL19439529 0.82 CAPN1 (0.42) TRPA1LMNAMEN1KMT2ATAAR1
SCHEMBL13452609 0.82 LMNA (0.46) TRPA1LMNAMEN1KMT2ATAAR1
SCHEMBL3276260 0.82 LMNA (0.46) TRPA1LMNAMEN1KMT2ATAAR1
SCHEMBL218804 0.82 LMNA (0.46) TRPA1LMNAMEN1KMT2ATAAR1
SCHEMBL10627463 0.82 CYP2D6 (0.42) LMNAKMT2ATAAR1CYP2D6
SCHEMBL5085704 0.76 HRH1 (0.48) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL3685590 0.75 AOC3 (0.42) LMNAKMT2APOLBCYP2D6
SCHEMBL21308579 0.75 AOC3 (0.42) LMNAKMT2APOLBCYP2D6
SCHEMBL5468931 0.74 KMT2A (0.40) LMNAMEN1KMT2ACYP2D6

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-5162318-A Which have pulmonary surfactant secretion promoting activity YAMANOUCHI PHARMACEUTICAL CO., LTD. (JP) 1992-11-10 US disclosed
EP-0454330-A1 Benzimidazolinone derivatives YAMANOUCHI PHARMACEUTICAL CO. LTD. (JP) 1991-10-30 EP disclosed