SCHEMBL7605696

SCHEMBL7605696

NCCCC[C@H](NN1C(=O)c2ccccc2C1=O)C(=O)O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MMP2 P08253 1/20 0.49
▸ MMP9 P14780 1/20 0.49
▸ ACE P12821 2/20 0.43
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ FOLH1 Q04609 1/20 0.41
▸ TLR2 O60603 1/20 0.41
▸ KDM4E B2RXH2 2/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ TP53 P04637 2/20 0.40
▸ GLA P06280 1/20 0.40
▸ POLB P06746 1/20 0.40
▸ CYP3A4 P08684 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ HPGD P15428 1/20 0.40
▸ ALOX12 P18054 1/20 0.40
▸ NFKB1 P19838 1/20 0.40
▸ APEX1 P27695 1/20 0.40
▸ MAPK1 P28482 1/20 0.40

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
Hydrochloric Acid SCHEMBL7855163 0.94 MMP2 (0.43) MMP2MMP9ACEMEN1KMT2A
SCHEMBL1824031 0.82 FOLH1 (0.45) MMP2MMP9ACEFOLH1TLR2
SCHEMBL1824034 0.82 FOLH1 (0.45) MMP2MMP9ACEFOLH1TLR2
SCHEMBL29132822 0.81 KDM4E (0.57) MMP9MEN1KMT2AL3MBTL1FOLH1
SCHEMBL29132823 0.81 KDM4E (0.57) MMP9MEN1KMT2AL3MBTL1FOLH1
SCHEMBL30660068 0.81 KDM4E (0.57) MMP9MEN1KMT2AL3MBTL1FOLH1
SCHEMBL11360473 0.78 ALDH1A1 (0.47) MEN1KMT2AL3MBTL1KDM4EALDH1A1
SCHEMBL7265100 0.77 ALDH1A1 (0.56) MMP2MMP9MEN1KMT2AL3MBTL1
SCHEMBL7272751 0.77 ALDH1A1 (0.56) MMP2MMP9MEN1KMT2AL3MBTL1
SCHEMBL30332077 0.77 FOLH1 (0.45) MMP2MMP9ACEFOLH1CA1

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-1088020-B1 FUNCTIONALISED POLYMERS OF ALPHA-AMINO ACIDS AND THE METHOD OF PREPARATION THEREOF USTAV MAKROMOLEKULARNI CHEMIE (CZ) 2002-12-18 — — EP claimed
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