SCHEMBL7354850

SCHEMBL7354850

COC(=O)C1C2CCCC21

nearest known ligand 0.45

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ PPM1B O75688 1/20 0.45
▸ PTPN1 P18031 1/20 0.45
▸ PPP1CC P36873 1/20 0.45
▸ CHRM2 P08172 1/20 0.41
▸ CHRM4 P08173 1/20 0.41
▸ CHRM3 P20309 1/20 0.41
▸ CYP2C19 P33261 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ TP53 P04637 1/20 0.35

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
SCHEMBL16448666 1.00 PPM1B (0.45) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL30933030 0.95 PPM1B (0.45) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL6551846 0.90 PPM1B (0.45) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL25277941 0.87 PPM1B (0.53) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL31010896 0.87 PPM1B (0.53) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL31010895 0.87 PPM1B (0.53) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL14357849 0.84 CHRM2 (0.42) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL19250496 0.80 CHRM2 (0.37) PPM1BPTPN1PPP1CCCHRM2CHRM4
SCHEMBL15653978 0.79 PPM1B (0.48) PPM1BPTPN1PPP1CCCYP2C19SMN1; SMN2
SCHEMBL20306770 0.78 MEN1 (0.47) PPM1BPTPN1PPP1CCCHRM2CHRM4

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
EP-0352000-A2 Retroviral protease binding peptides SMITHKLINE BEECHAM CORPORATION (US) 1990-01-24 — — EP disclosed
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