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SCHEMBL7429087

SCHEMBL7429087

CCCCC(C(=O)NC(CC(=O)O)c1ccccc1)n1cc(C)cc(Cc2ccccc2)c1=O

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 12/20 0.38
▸ MMP3 P08254 6/20 0.38
▸ FPR1 P21462 2/20 0.36
▸ MMP1 P03956 4/20 0.36
▸ POLB P06746 1/20 0.36
▸ CASP1 P29466 1/20 0.35
▸ CTSA P10619 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 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
SCHEMBL4427187 1.00 MMP2 (0.38) MMP2MMP3FPR1MMP1POLB
SCHEMBL8506622 0.96 CTSA (0.40) MMP2MMP3FPR1MMP1CTSA
SCHEMBL4435400 0.96 CTSA (0.40) MMP2MMP3FPR1MMP1CTSA
SCHEMBL4435399 0.96 CTSA (0.40) MMP2MMP3FPR1MMP1CTSA
SCHEMBL4426400 0.96 CYP26A1 (0.38) MMP2MMP3FPR1MMP1CTSA
SCHEMBL4435258 0.95 CTSA (0.41) MMP2MMP3FPR1MMP1CASP1
SCHEMBL4425710 0.95 ALDH1A1 (0.37) MMP2MMP3FPR1MMP1CTSA
SCHEMBL4429163 0.95 FPR1 (0.36) MMP2MMP3FPR1MMP1CASP1
SCHEMBL4431712 0.94 CTSA (0.41) MMP2FPR1MMP1CTSA
SCHEMBL8517291 0.94 CTSA (0.39) MMP2MMP3FPR1MMP1CTSA

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
EP-1213288-A1 Propanoic acid derivatives that inhibit the binding of integrins to their receptors TEXAS BIOTECHNOLOGY CORPORATION (US) 2002-06-12 — — EP disclosed