SCHEMBL18906445

SCHEMBL18906445

COC(=O)C1C(C(=O)OC)C2C3CCC(C3)C12

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 1/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ CYP1A2 P05177 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ SLC6A3 Q01959 7/20 0.42
▸ PPM1B O75688 1/20 0.42
▸ PTPN1 P18031 1/20 0.42
▸ PPP1CC P36873 1/20 0.42
▸ CHRNB2 P17787 1/20 0.41
▸ CHRNB4 P30926 1/20 0.41
▸ CHRNA3 P32297 1/20 0.41
▸ CHRNA7 P36544 1/20 0.41
▸ CHRNA4 P43681 1/20 0.41
▸ SLC6A4 P31645 5/20 0.38
▸ TP53 P04637 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
SCHEMBL7858097 0.88 ALDH1A1 (0.54) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7858104 0.88 ALDH1A1 (0.54) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL7858102 0.88 ALDH1A1 (0.54) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16229114 0.85 ALDH1A1 (0.46) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19687887 0.85 ALDH1A1 (0.46) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14874331 0.83 PPM1B (0.50) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL14874330 0.83 PPM1B (0.50) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL19687886 0.82 ALDH1A1 (0.44) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL16229110 0.81 PPM1B (0.47) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19
SCHEMBL8398424 0.80 PPM1B (0.55) MEN1ALDH1A1CYP1A2CYP2C9CYP2C19

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-20170153549-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 — — US disclosed
US-20170153549-A1 SILICON-CONTAINING RESIST UNDERLAYER FILM-FORMING COMPOSITION HAVING ORGANIC GROUP HAVING ALIPHATIC POLYCYCLIC STRUCTURE NISSAN CHEMICAL INDUSTRIES, LTD. (JP) 2017-06-01 — — US disclosed
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