SCHEMBL9472271

SCHEMBL9472271

CCCCCCCCCCCCCCCCCC(=O)OC[C@H]1O[C@H](O)[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 20)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.53
▸ ESR1 P03372 2/20 0.41
▸ PGR P06401 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADORA3 P0DMS8 1/20 0.41
▸ AR P10275 1/20 0.41
▸ CHRM1 P11229 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PTGS1 P23219 1/20 0.41
▸ ADRA1A P35348 1/20 0.41
▸ KCNH2 Q12809 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ KMT2A Q03164 1/20 0.40
▸ NOD2 Q9HC29 1/20 0.37
▸ MMP12 P39900 1/20 0.37
▸ TLR4 O00206 5/20 0.36
▸ ALDH1A1 P00352 2/20 0.35
▸ POLB P06746 1/20 0.35
▸ THRB P10828 1/20 0.35
▸ AKT1 P31749 2/20 0.35

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
SCHEMBL9472785 0.86 MAPK1 (0.63) MAPK1ADORA3LMNAKMT2ANOD2
SCHEMBL9472732 0.85 MAPK1 (0.46) MAPK1ESR1PGRHTR1AADORA3
SCHEMBL9472943 0.83 POLB (0.53) MAPK1LMNAKMT2AMMP12ALDH1A1
SCHEMBL2336925 0.80 MAPT (0.46) MAPK1LMNAKMT2ATLR4ALDH1A1
SCHEMBL2336920 0.80 MAPT (0.46) MAPK1LMNAKMT2ATLR4ALDH1A1
SCHEMBL18169507 0.79 MAPK1 (0.48) MAPK1ESR1PGRHTR1AADORA3
SCHEMBL9472679 0.79 TNF (0.41) MAPK1ESR1PGRHTR1AADORA3
SCHEMBL4991663 0.79 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL4994069 0.79 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1
SCHEMBL14010283 0.79 MAPK1 (0.50) MAPK1TLR4ALDH1A1THRBAKT1

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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