SCHEMBL22299972

SCHEMBL22299972

CC(=O)Cc1ccc(CNC(=O)NCCCC[C@H](NC(C)=O)C(=O)O)cc1

nearest known ligand 0.54

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ ALB P02768 3/20 0.54
▸ FOLH1 Q04609 11/20 0.50
▸ ITGB3 P05106 1/20 0.46
▸ ITGAV P06756 1/20 0.46
▸ CA1 P00915 2/20 0.45
▸ CA2 P00918 2/20 0.45
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ EPHX2 P34913 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL18308654 0.91 FOLH1 (0.51) ALBFOLH1ITGB3ITGAVALDH1A1
SCHEMBL22299966 0.84 EPHX2 (0.46) FOLH1CA1CA2SMN1; SMN2EPHX2
SCHEMBL15739460 0.80 FOLH1 (0.69) FOLH1
SCHEMBL17190075 0.80 FOLH1 (0.60) FOLH1
SCHEMBL23720442 0.80 FOLH1 (0.57) FOLH1
SCHEMBL18307317 0.80 FOLH1 (0.52) FOLH1ALDH1A1
SCHEMBL2039557 0.79 FOLH1 (0.56) ALBFOLH1ITGB3ITGAVALDH1A1
SCHEMBL18308653 0.78 FOLH1 (0.60) FOLH1ITGB3ITGAVSMN1; SMN2EPHX2
SCHEMBL22300022 0.78 FOLH1 (0.63) FOLH1
SCHEMBL24491195 0.77 FOLH1 (0.62) FOLH1

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-2020156513-A1 BI-LIGAND DRUG CONJUGATE AND USE THEREOF 同宜医药(苏州)有限公司 2020-08-06 — — WO disclosed
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