SCHEMBL9315418

SCHEMBL9315418

CCOC(=O)c1cc(C(C)=O)c(C)nc1C(=O)O

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.53
KDM4E B2RXH2 7/20 0.52
GAA P10253 3/20 0.49
NPC1 O15118 1/20 0.49
POLB P06746 1/20 0.49
HTT P42858 1/20 0.47
ALDH1A1 P00352 6/20 0.47
HPGD P15428 5/20 0.46
HSD17B10 Q99714 2/20 0.46
ALOX15 P16050 1/20 0.46
TSHR P16473 2/20 0.45
L3MBTL1 Q9Y468 3/20 0.43
RAB9A P51151 2/20 0.42
LMNA P02545 1/20 0.42
MAPT P10636 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 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
SCHEMBL9315414 0.91 SMN1; SMN2 (0.56) SMN1; SMN2KDM4EGAANPC1POLB
SCHEMBL7598160 0.85 KDM4E (0.69) SMN1; SMN2KDM4EGAANPC1POLB
SCHEMBL30531237 0.85 KDM4E (0.69) SMN1; SMN2KDM4EGAANPC1POLB
SCHEMBL11470029 0.79 KDM4E (0.69) SMN1; SMN2KDM4EGAAALDH1A1HPGD
SCHEMBL2301745 0.78 KDM4E (0.77) SMN1; SMN2KDM4EGAAPOLBALDH1A1
SCHEMBL4876987 0.77 KDM4E (0.57) SMN1; SMN2KDM4EGAANPC1POLB
SCHEMBL31115738 0.76 ALDH1A1 (0.50) SMN1; SMN2KDM4EGAANPC1ALDH1A1
SCHEMBL9800425 0.74 KDM4E (0.50) KDM4EGAAALDH1A1HPGDHSD17B10
SCHEMBL9315436 0.73 SMN1; SMN2 (0.50) SMN1; SMN2KDM4ENPC1ALDH1A1HPGD
SCHEMBL4952910 0.73 TSHR (0.57) SMN1; SMN2KDM4EGAANPC1POLB

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
US-5334576-A Pre- and postemergence AMERICAN CYANAMID COMPANY (US) 1994-08-02 US disclosed
EP-0322616-A2 Novel 5(and/or 6)substituted 2-(2-imidazolin-2-yl)nicotinic acids, esters and salts, useful as herbicidal agents and nivel intermediates for the preparation of said nicotinic acids, esters and salts AMERICAN CYANAMID COMPANY (US) 1989-07-05 EP disclosed