SCHEMBL11348583

SCHEMBL11348583

O=C(NC(Cc1ccc(O)cc1)C(=O)O)c1ccccc1O

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ITGB1 P05556 3/20 0.57
ITGA4 P13612 3/20 0.57
ITGB7 P26010 3/20 0.57
CA1 P00915 2/20 0.57
CA2 P00918 2/20 0.57
MME P08473 2/20 0.56
FOLH1 Q04609 1/20 0.53
NAALAD2 Q9Y3Q0 1/20 0.53
ACE P12821 2/20 0.53
NHERF1 O14745 1/20 0.53
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
LMNA P02545 1/20 0.52
HPGD P15428 1/20 0.52
TSHR P16473 1/20 0.52
HSD17B10 Q99714 1/20 0.52
PTPN1 P18031 1/20 0.52
ELANE P08246 2/20 0.52
L3MBTL1 Q9Y468 1/20 0.51

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
SCHEMBL7518479 0.93 L3MBTL1 (0.58) CA1CA2MMENAALAD2ACE
SCHEMBL29619848 0.93 L3MBTL1 (0.58) CA1CA2MMENAALAD2ACE
SCHEMBL3497457 0.93 L3MBTL1 (0.58) CA1CA2MMENAALAD2ACE
SCHEMBL11119910 0.90 CA1 (0.56) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL6800452 0.89 ITGB1 (0.57) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL11122142 0.86 CA1 (0.57) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL11122263 0.86 CA1 (0.57) ITGB1ITGA4ITGB7CA1CA2
SCHEMBL3975655 0.85 KDR (0.62) KDM4EALDH1A1LMNATSHRELANE
SCHEMBL3975653 0.85 KDR (0.62) KDM4EALDH1A1LMNATSHRELANE
SCHEMBL7648431 0.84 ELANE (0.59) ITGB1ITGA4ITGB7MMENHERF1

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
US-4302448-A Secretin preparations with intensified and protracted action, process for their manufacture, their use as well as dihydroxybenzoyl-L-tyrosine HOECHST AKTIENGESELLSCHAFT (DE) 1981-11-24 US disclosed