SCHEMBL9798414

SCHEMBL9798414

COC(=O)CCCCCCCCCCCO[C@H]1O[C@H](COC(C)=O)[C@@H](OC(C)=O)[C@H](OCc2ccccc2)[C@H]1OC(C)=O

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ CYP2D6 P10635 2/20 0.48
▸ ALDH1A1 P00352 1/20 0.48
▸ MAPK1 P28482 1/20 0.48
▸ POLB P06746 1/20 0.48
▸ TSHR P16473 1/20 0.47
▸ SSTR1 P30872 1/20 0.45
▸ SSTR2 P30874 1/20 0.45
▸ SSTR4 P31391 1/20 0.45
▸ SSTR3 P32745 1/20 0.45
▸ SSTR5 P35346 1/20 0.45
▸ PAX8 Q06710 1/20 0.45
▸ TACR1 P25103 2/20 0.44
▸ SELP P16109 2/20 0.43
▸ THRB P10828 1/20 0.41
▸ HSD17B10 Q99714 1/20 0.41

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
SCHEMBL9798405 1.00 LMNA (0.52) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL9797842 0.91 LGALS8 (0.43) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL9797837 0.91 LGALS8 (0.43) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL9798424 0.89 SSTR1 (0.42) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL9798432 0.89 SSTR1 (0.42) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL22697508 0.89 CYP2D6 (0.53) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL26350712 0.89 CYP2D6 (0.53) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL7565269 0.89 LMNA (0.43) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL7566502 0.87 LGALS8 (0.45) LMNAKMT2ACYP2D6ALDH1A1MAPK1
SCHEMBL7565262 0.87 LMNA (0.42) LMNAKMT2ACYP2D6ALDH1A1MAPK1

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-5075433-A Substituted-3-sulfatoglucuronic acid antigens EASTMAN KODAK COMPANY (US) 1991-12-24 — — US disclosed
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