SCHEMBL9168213

SCHEMBL9168213

N#Cc1cccc(Oc2cccc(/C=C/C(=O)O)c2)c1

nearest known ligand 0.56

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
P4HB P07237 11/20 0.56
KDM4E B2RXH2 2/20 0.55
ALDH1A1 P00352 2/20 0.55
SMN1; SMN2 Q16637 1/20 0.55
PKM P14618 1/20 0.52
ALOX5 P09917 2/20 0.51
PTGS1 P23219 1/20 0.51
PTGS2 P35354 1/20 0.51
RHOA P61586 1/20 0.51
NPSR1 Q6W5P4 1/20 0.48
FOS P01100 1/20 0.47
JUN P05412 1/20 0.47
MAOA P21397 2/20 0.46
MAOB P27338 2/20 0.46

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
SCHEMBL9168215 1.00 P4HB (0.56) P4HBKDM4EALDH1A1SMN1; SMN2PKM
SCHEMBL1225940 0.87 P4HB (0.64) P4HBNPSR1MAOAMAOB
SCHEMBL30745014 0.87 P4HB (0.64) P4HBNPSR1MAOAMAOB
SCHEMBL30912094 0.87 P4HB (0.64) P4HBNPSR1MAOAMAOB
SCHEMBL1225943 0.87 P4HB (0.64) P4HBNPSR1MAOAMAOB
Hydrochloric Acid SCHEMBL4101473 0.85 P4HB (0.62) P4HBNPSR1MAOAMAOB
SCHEMBL1206897 0.84 ALOX5 (0.68) KDM4EALDH1A1SMN1; SMN2PKMALOX5
SCHEMBL30014477 0.84 ALOX5 (0.68) KDM4EALDH1A1SMN1; SMN2PKMALOX5
SCHEMBL1206895 0.84 ALOX5 (0.68) KDM4EALDH1A1SMN1; SMN2PKMALOX5
Hydrochloric Acid SCHEMBL11175049 0.82 ALOX5 (0.67) KDM4EALDH1A1SMN1; SMN2PKMALOX5

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0649413-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1995-04-26 EP disclosed
WO-1994001414-A1 URACIL DERIVATIVES AS ENZYME INHIBITORS THE WELLCOME FOUNDATION LIMITED (GB) 1994-01-20 WO disclosed