SCHEMBL24378315

SCHEMBL24378315

COC(=O)C(CSSCC(NC(C)=O)C(C)=O)NC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 2/20 0.44
ITGA4 P13612 2/20 0.44
KDM4E B2RXH2 1/20 0.37
MAPT P10636 1/20 0.37
THRB P10828 1/20 0.37
ALOX15 P16050 1/20 0.37
NFKB1 P19838 1/20 0.37
PTGS2 P35354 1/20 0.37
THPO P40225 1/20 0.37
RECQL P46063 1/20 0.37
BLM P54132 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ALDH1A1 P00352 2/20 0.36
GAA P10253 1/20 0.34

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
SCHEMBL2873174 0.94 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL2872923 0.94 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL2408947 0.94 ITGB1 (0.48) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL22764801 0.89 ITGB1 (0.43) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL11774604 0.87 ITGB1 (0.57) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL11774610 0.87 ITGB1 (0.57) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL24359843 0.87 ITGB1 (0.57) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL24374998 0.86 ITGB1 (0.43) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL19216892 0.86 ITGB1 (0.43) ITGB1ITGA4KDM4EMAPTTHRB
SCHEMBL20839967 0.84 ITGB1 (0.42) ITGB1ITGA4KDM4EMAPTTHRB

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
WO-2022084738-A2 COMPOUNDS AND METHODS FOR THE TREATMENT OF OCULAR DISORDERS Azura Ophthalmics Ltd. (IL) 2022-04-28 WO disclosed