SCHEMBL9725435

SCHEMBL9725435

CCC(C)CC([C]=O)c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TRPA1 O75762 5/20 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
MIF P14174 1/20 0.37
TAAR1 Q96RJ0 3/20 0.35
POLB P06746 1/20 0.34
HSD17B10 Q99714 1/20 0.33
CRHBP P24387 1/20 0.33
CRHR2 Q13324 1/20 0.33
MAPT P10636 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
SCHEMBL11211687 0.82 ALDH1A1 (0.41) TRPA1LMNAMIFTAAR1
SCHEMBL8712988 0.82 LMNA (0.46) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL143452 0.82 LMNA (0.46) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL5085704 0.76 HRH1 (0.48) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL28799952 0.75 AOC3 (0.42) LMNAMIFTAAR1POLB
SCHEMBL142722 0.75 AOC3 (0.42) LMNAMIFTAAR1POLB
SCHEMBL27540029 0.74 HRH1 (0.47) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL9490631 0.74 TRPA1 (0.67) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL9467887 0.74 MIF (0.49) TRPA1LMNAFFAR1MEN1KMT2A
SCHEMBL143657 0.72 POLB (0.45) POLBMAPT

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