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SCHEMBL10905232

SCHEMBL10905232

COC(=O)COCCOCCO[C@@H]1O[C@H](COC(=O)c2ccccc2)[C@@H](O[C@@H]2O[C@H](COC(C)=O)[C@H](OC(C)=O)[C@H](OC(C)=O)[C@H]2OC(C)=O)[C@H](OCc2ccccc2)[C@H]1NC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 3/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ POLB P06746 2/20 0.51
▸ CYP3A4 P08684 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ CYP2C9 P11712 1/20 0.46
▸ CYP2C19 P33261 1/20 0.46
▸ PAX8 Q06710 1/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ CA12 O43570 10/20 0.40
▸ CA1 P00915 10/20 0.40
▸ CA2 P00918 10/20 0.40
▸ CA9 Q16790 10/20 0.40
▸ CA14 Q9ULX7 6/20 0.40
▸ PRKCA P17252 1/20 0.40
▸ AKT1 P31749 1/20 0.40
▸ PTK2 Q05397 1/20 0.40
▸ TSHR P16473 1/20 0.39

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
SCHEMBL10906318 0.85 MCHR1 (0.46) LMNAKMT2APOLB
SCHEMBL2288403 0.84 LMNA (0.66) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL8038810 0.84 POLB (0.63) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL23069318 0.84 LMNA (0.66) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL2288407 0.84 LMNA (0.66) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL24922846 0.84 LMNA (0.66) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL23244011 0.83 LMNA (0.67) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL11432645 0.82 LMNA (0.49) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL10604734 0.82 POLB (0.59) LMNAKMT2APOLBCYP3A4MAPT
SCHEMBL10604737 0.82 POLB (0.59) LMNAKMT2APOLBCYP3A4MAPT

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-4563445-A DETECTION OF GASTROINTESTINAL CHOAY S.A. (FR) 1986-01-07 — — US disclosed
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