SCHEMBL6684836

SCHEMBL6684836

CCCCOC(=O)NC(CCC(=O)O)c1ccc(Cl)cc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
NPC1 O15118 1/20 0.48
HPGD P15428 1/20 0.48
RAB9A P51151 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
FAAH O00519 3/20 0.46
MAPK1 P28482 1/20 0.44
CCKBR P32239 1/20 0.43
UTS2R Q9UKP6 7/20 0.42
HRH4 Q9H3N8 1/20 0.42
HRH3 Q9Y5N1 1/20 0.42
CTSK P43235 1/20 0.41
KMT2A Q03164 2/20 0.41
MEN1 O00255 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
SCHEMBL3723030 0.94 SMN1; SMN2 (0.47) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL637958 0.91 EPHX2 (0.43) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL638122 0.90 UTS2R (0.39) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL3630691 0.89 SMN1; SMN2 (0.51) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL4755055 0.88 UTS2R (0.42) SMN1; SMN2FAAHMAPK1UTS2RHRH4
SCHEMBL5181827 0.88 KMT2A (0.53) SMN1; SMN2NPC1HPGDRAB9AL3MBTL1
SCHEMBL351149 0.85 UTS2R (0.43) SMN1; SMN2UTS2RHRH4HRH3KMT2A
SCHEMBL636473 0.84 UTS2R (0.40) SMN1; SMN2UTS2RKMT2A
SCHEMBL2230625 0.84 UTS2R (0.40) SMN1; SMN2UTS2R
SCHEMBL2230681 0.83 UTS2R (0.42) UTS2RKMT2A

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
WO-2004071448-A2 SUBSTITUTED AZOLE DERIVATIVES AS INHIBITORS OF PROTEIN TYROSINE PHOSPHATASES TRANSTECH PHARMA INC. (US) 2004-08-26 WO disclosed