SCHEMBL9846853

SCHEMBL9846853

COC(=O)C(C1CCCCC1)C1CCCC1

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 2/20 0.52
TP53 P04637 1/20 0.49
ALDH1A1 P00352 2/20 0.46
NPSR1 Q6W5P4 2/20 0.46
THRB P10828 1/20 0.46
SLC6A3 Q01959 2/20 0.45
CA12 O43570 2/20 0.44
CA1 P00915 2/20 0.44
CA2 P00918 2/20 0.44
MMP2 P08253 2/20 0.44
CA9 Q16790 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KMT2A Q03164 2/20 0.43
MEN1 O00255 1/20 0.43
TSHR P16473 2/20 0.42
CA14 Q9ULX7 1/20 0.40

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
SCHEMBL3538057 1.00 EPHX1 (0.52) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL17398017 0.88 CA14 (0.44) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL19942011 0.82 TP53 (0.62) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL6862095 0.82 TP53 (0.62) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL27737037 0.82 TP53 (0.49) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL19941727 0.82 TP53 (0.62) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL14679339 0.80 TP53 (0.47) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL3996792 0.80 TP53 (0.47) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL6592409 0.80 TP53 (0.47) EPHX1TP53ALDH1A1NPSR1THRB
SCHEMBL1874858 0.80 TP53 (0.47) EPHX1TP53ALDH1A1NPSR1THRB

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
EP-0417760-A2 Phenylalkanoyl substituted imidazo[4,5-c] pyridines G.D. Searle & Co. (US) 1991-03-20 EP disclosed
US-4988707-A Platelet activating factor, antiinflammatory agents, cardiovascular disorders and treatment of asthma G. D. SEARLE & CO. (US) 1991-01-29 US disclosed