SCHEMBL9315419

SCHEMBL9315419

CC(=O)c1cnc(C(=O)O)c(C(=O)O)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.41
ALDH1A1 P00352 3/20 0.41
ALOX15 P16050 2/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
TSHR P16473 1/20 0.41
BLM P54132 1/20 0.41
AGER Q15109 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
AKR1C3 P42330 13/20 0.40
AKR1C2 P52895 13/20 0.40
GABRP O00591 2/20 0.38
GABRD O14764 2/20 0.38
GABRA1 P14867 2/20 0.38
GABRB1 P18505 2/20 0.38
GABRG2 P18507 2/20 0.38
GABRB3 P28472 2/20 0.38
GABRA5 P31644 2/20 0.38
GABRA3 P34903 2/20 0.38

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
SCHEMBL1171022 0.86 KDM4E (0.45) KDM4EALDH1A1ALOX15CYP3A4MAPT
Nitrous Acid SCHEMBL28913581 0.81 KDM4E (0.41) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL29952936 0.81 KDM4E (0.44) KDM4EALDH1A1AKR1C3AKR1C2GABRP
SCHEMBL7720516 0.81 NNMT (0.41) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL24027297 0.80 SMN1; SMN2 (0.39) KDM4EALDH1A1CYP3A4MAPTTSHR
SCHEMBL30968742 0.76 GABRP (0.44) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL1819716 0.76 GABRP (0.44) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL28913580 0.75 KDM4E (0.37) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL28276724 0.74 GABRP (0.43) KDM4EALDH1A1ALOX15CYP3A4MAPT
SCHEMBL6359091 0.74 KMT2A (0.48) KDM4EALDH1A1CYP3A4MAPTTSHR

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