SCHEMBL9472943

SCHEMBL9472943

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@@H](OCc2ccccc2)[C@H](NC(C)=O)[C@@H](OC(C)C(=O)O)[C@@H]1OC(C)=O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 2/20 0.53
▸ LMNA P02545 3/20 0.53
▸ KMT2A Q03164 2/20 0.53
▸ SELP P16109 4/20 0.43
▸ ALDH1A1 P00352 4/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ TNF P01375 3/20 0.40
▸ MMP12 P39900 2/20 0.40
▸ MMP9 P14780 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ MEN1 O00255 1/20 0.37
▸ HPGD P15428 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
SCHEMBL9472639 0.95 POLB (0.53) POLBLMNAKMT2ASELPALDH1A1
SCHEMBL9472221 0.89 POLB (0.66) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL9472732 0.87 MAPK1 (0.46) POLBLMNAKMT2ASELPALDH1A1
SCHEMBL9472933 0.85 POLB (0.51) POLBLMNAKMT2ASELPALDH1A1
SCHEMBL9473749 0.83 POLB (0.65) POLBLMNAKMT2AALDH1A1CYP2D6
SCHEMBL9472271 0.83 MAPK1 (0.53) POLBLMNAKMT2AALDH1A1MAPK1
SCHEMBL14151002 0.82 LMNA (0.57) POLBLMNAKMT2ASELPALDH1A1
SCHEMBL14151003 0.82 LMNA (0.57) POLBLMNAKMT2ASELPALDH1A1
SCHEMBL9472679 0.81 TNF (0.41) POLBLMNAKMT2ASELPALDH1A1
SCHEMBL10956036 0.81 LMNA (0.65) POLBLMNAKMT2ASELPALDH1A1

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-5264431-A Inhibitors for proteinkinase C CIBA-GEIGY CORP. (US) 1993-11-23 — — US disclosed
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