SCHEMBL20184745

SCHEMBL20184745

Nc1ccc(CNCCC(=O)O)cc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 6/20 0.49
S1PR3 Q99500 2/20 0.49
S1PR2 O95136 1/20 0.49
ALDH1A1 P00352 2/20 0.49
ANPEP P15144 1/20 0.46
ERAP2 Q6P179 1/20 0.46
ITGB1 P05556 3/20 0.44
ITGA5 P08648 3/20 0.44
HDAC3 O15379 2/20 0.42
HDAC1 Q13547 2/20 0.42
HDAC2 Q92769 2/20 0.42
HDAC8 Q9BY41 2/20 0.42
NCOR2 Q9Y618 2/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
KDM4E B2RXH2 1/20 0.41
HTT P42858 1/20 0.41
FFAR1 O14842 1/20 0.41
LTA4H P09960 1/20 0.41

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
SCHEMBL3669498 0.90 ALDH1A1 (0.56) S1PR1S1PR3S1PR2ALDH1A1HDAC3
SCHEMBL8420591 0.86 ALDH1A1 (0.68) S1PR1S1PR3S1PR2ALDH1A1HDAC3
SCHEMBL11508408 0.85 TPSAB1 (0.55) S1PR1S1PR3S1PR2ALDH1A1ANPEP
SCHEMBL18459808 0.85 KDM4E (0.52) ALDH1A1ANPEPERAP2ITGB1ITGA5
Lithium SCHEMBL11511589 0.84 TPSAB1 (0.53) S1PR1S1PR3S1PR2ALDH1A1ANPEP
SCHEMBL3187395 0.83 S1PR1 (0.50) S1PR1S1PR3S1PR2ALDH1A1HDAC3
SCHEMBL2224632 0.82 MEN1 (0.64) S1PR1ALDH1A1HDAC3HDAC1HDAC2
SCHEMBL12072934 0.81 ALDH1A1 (0.61) S1PR1S1PR3S1PR2ALDH1A1HDAC8
SCHEMBL3207348 0.81 S1PR1 (0.60) S1PR1S1PR3S1PR2ALDH1A1HDAC3
SCHEMBL5940017 0.81 HTT (0.62) S1PR1S1PR3S1PR2ALDH1A1HDAC3

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-2096912-B1 FORMULATIONS AND USES OF 2-HYDROXY-5-PHENYLAZOBENZOIC ACID DERIVATIVES SALIX PHARMACEUTICALS INC (US) 2018-05-30 EP disclosed