SCHEMBL14357804

SCHEMBL14357804

CC(CCC(=O)OCC(=O)OC(C)(C)C)C1CCC2C3C(O)CC4CC(O)CCC4(C)C3CC(OC(=O)CCC(=O)OCC(=O)OC(C)(C)C)C12C

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.62
▸ MEN1 O00255 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ SLCO1B3 Q9NPD5 1/20 0.62
▸ SLCO1B1 Q9Y6L6 1/20 0.62
▸ USP2 O75604 1/20 0.62
▸ GPBAR1 Q8TDU6 8/20 0.57
▸ NR1H4 Q96RI1 2/20 0.57
▸ PDE3A Q14432 1/20 0.57
▸ ALDH1A1 P00352 1/20 0.56
▸ TDP1 Q9NUW8 1/20 0.56
▸ CA1 P00915 2/20 0.55
▸ CA2 P00918 2/20 0.55
▸ LMNA P02545 2/20 0.54
▸ ABCB11 O95342 1/20 0.53
▸ CYP2C19 P33261 1/20 0.52

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
SCHEMBL14357808 0.96 GPBAR1 (0.64) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL14357818 0.94 GPBAR1 (0.60) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL14357817 0.93 CYP3A4 (0.53) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL14388523 0.91 CYP3A4 (0.72) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL19497256 0.91 CYP3A4 (0.75) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL8737714 0.91 CYP3A4 (0.75) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL5443385 0.91 CYP3A4 (0.75) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL14357819 0.90 GPBAR1 (0.56) CYP3A4MEN1KMT2AGPBAR1NR1H4
SCHEMBL14357814 0.90 NR1H4 (0.55) CYP3A4MEN1KMT2ASLCO1B3SLCO1B1
SCHEMBL14357794 0.88 MAPT (0.61) CYP3A4MEN1KMT2AUSP2GPBAR1

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-20070254247-A1 Radiation-sensitive resin composition YAMAMOTO MASAFUMI 2007-11-01 — — US disclosed
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