SCHEMBL13704489

SCHEMBL13704489

CCC(C)C(=O)OC1CC2CC1CC2C(=O)OC(C)c1ccccc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHRM2 P08172 5/20 0.36
▸ CHRM1 P11229 4/20 0.36
▸ MEN1 O00255 3/20 0.36
▸ KMT2A Q03164 3/20 0.36
▸ CHRM4 P08173 2/20 0.36
▸ CHRM5 P08912 2/20 0.36
▸ CHRM3 P20309 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ BLM P54132 2/20 0.36
▸ HCAR2 Q8TDS4 1/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ CYP3A4 P08684 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ PABPC1 P11940 2/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ CYP2C19 P33261 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
SCHEMBL13704498 0.90 HMGCR (0.32) KMT2ATSHRSMN1; SMN2CYP3A4KDM4E
SCHEMBL13704494 0.89 TSHR (0.36) MEN1KMT2ATSHRSMN1; SMN2CYP3A4
SCHEMBL13704542 0.87 HMGCR (0.30) —
SCHEMBL13704497 0.87 GLA (0.34) MEN1KMT2A
SCHEMBL13704556 0.87 GLA (0.34) —
SCHEMBL13704508 0.87 GLA (0.34) —
SCHEMBL13704528 0.86 ALOX5 (0.33) MEN1KMT2ATSHRBLMSMN1; SMN2
SCHEMBL13704495 0.84 HMGCR (0.32) TSHRSMN1; SMN2CYP3A4KDM4E
SCHEMBL13704531 0.84 AKR1B1 (0.36) KDM4EALDH1A1
SCHEMBL13704504 0.83 — —

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
US-20090226822-A1 RECORDING MEDIUM KABUSHIKI KAISHA TOSHIBA 2009-09-10 — — US disclosed
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