SCHEMBL23992233

SCHEMBL23992233

CC(=O)NC1C(OCCCCC(=O)OCc2ccccc2)OC(CO)C(O)C1O

nearest known ligand 0.60

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 1/20 0.60
▸ LGALS8 O00214 2/20 0.50
▸ MEN1 O00255 1/20 0.50
▸ KMT2A Q03164 1/20 0.50
▸ LGALS3 P17931 1/20 0.50
▸ LGALS4 P56470 1/20 0.50
▸ B4GALT1 P15291 1/20 0.49
▸ HRAS P01112 1/20 0.47
▸ POLB P06746 1/20 0.47

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
SCHEMBL18875811 0.87 MAPK1 (0.67) MAPK1LGALS8MEN1KMT2ALGALS3
SCHEMBL17283441 0.86 MAPK1 (0.60) MAPK1LGALS8MEN1KMT2ALGALS3
SCHEMBL19509829 0.86 LGALS8 (0.52) LGALS8POLB
SCHEMBL19509830 0.86 LGALS8 (0.52) LGALS8POLB
SCHEMBL19500446 0.86 LGALS8 (0.52) LGALS8POLB
SCHEMBL22855653 0.86 MAPK1 (0.57) MAPK1LGALS8MEN1KMT2ALGALS3
SCHEMBL24699869 0.86 MAPK1 (0.57) MAPK1LGALS8MEN1KMT2ALGALS3
SCHEMBL20643560 0.85 MAPK1 (0.58) MAPK1MEN1KMT2AHRASPOLB
SCHEMBL13031052 0.85 MAPK1 (0.58) MAPK1MEN1KMT2AHRASPOLB
SCHEMBL21097246 0.85 MAPK1 (0.58) MAPK1MEN1KMT2AHRASPOLB

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-20210330677-A1 PKC INHIBITORS FOR THE TREATMENT OF SEPTIC CHOLESTASIS WITH CTM TARGETING SMARTDYELIVERY GMBH (DE) 2021-10-28 — — US disclosed
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