SCHEMBL10615102

SCHEMBL10615102

NCCCC[C@H](NC(=O)n1c2ccccc2c2ccccc21)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ GRIN1 Q05586 3/20 0.55
▸ GRIN2A Q12879 3/20 0.55
▸ GRIN2B Q13224 3/20 0.55
▸ MMP2 P08253 1/20 0.47
▸ MMP9 P14780 1/20 0.47
▸ FOLH1 Q04609 1/20 0.46
▸ FNTA P49354 2/20 0.43
▸ FNTB P49356 2/20 0.43
▸ CA1 P00915 1/20 0.43
▸ CA2 P00918 1/20 0.43
▸ CNR2 P34972 1/20 0.42
▸ CPB2 Q96IY4 2/20 0.41
▸ CASR P41180 1/20 0.41
▸ ERAP2 Q6P179 2/20 0.41
▸ LNPEP Q9UIQ6 2/20 0.41
▸ ERAP1 Q9NZ08 1/20 0.40
▸ TLR2 O60603 1/20 0.40
▸ ECE1 P42892 1/20 0.39
▸ CPB1 P15086 1/20 0.39

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
SCHEMBL607885 0.75 ITGB3 (0.60) GRIN1GRIN2AMMP2MMP9FOLH1
SCHEMBL607886 0.75 ITGB3 (0.60) GRIN1GRIN2AMMP2MMP9FOLH1
SCHEMBL8853611 0.73 ALDH1A1 (0.56) FOLH1CPB2TLR2CPB1
SCHEMBL11207354 0.73 ALDH1A1 (0.56) FOLH1CPB2TLR2CPB1
SCHEMBL8716175 0.73 PYGL (0.52) MMP2MMP9FOLH1FNTAFNTB
SCHEMBL8716172 0.73 PYGL (0.52) MMP2MMP9FOLH1FNTAFNTB
SCHEMBL22129699 0.72 ITGB3 (0.64) GRIN1GRIN2AMMP2MMP9FOLH1
SCHEMBL22129697 0.72 ITGB3 (0.64) GRIN1GRIN2AMMP2MMP9FOLH1
SCHEMBL9504193 0.72 MMP2 (0.54) MMP2MMP9FOLH1CA1CA2
SCHEMBL9504188 0.72 MMP2 (0.54) MMP2MMP9FOLH1CA1CA2

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-0254060-A2 Photoconductive films Montedison S.p.A. (IT) 1988-01-27 — — EP claimed
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