SCHEMBL10790803

SCHEMBL10790803

O=C(O)CCC(=O)c1ccccc1-c1ccccc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.56
FFAR1 O14842 2/20 0.56
CYP1A2 P05177 2/20 0.56
LMNA P02545 1/20 0.56
RAB9A P51151 1/20 0.56
HIF1A Q16665 1/20 0.56
BCAT2 O15382 1/20 0.55
NR4A2 P43354 1/20 0.53
KMT2A Q03164 4/20 0.50
CHRNB2 P17787 3/20 0.50
CHRNB4 P30926 3/20 0.50
CHRNA3 P32297 3/20 0.50
CHRNA4 P43681 3/20 0.50
MEN1 O00255 3/20 0.50
ALDH1A1 P00352 3/20 0.48
GAA P10253 1/20 0.48
CYP2C19 P33261 1/20 0.48
PPARG P37231 1/20 0.48
ADAM17 P78536 1/20 0.47
HNF4A P41235 1/20 0.47

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
SCHEMBL11389918 0.90 SMN1; SMN2 (0.50) SMN1; SMN2FFAR1CYP1A2LMNARAB9A
SCHEMBL11507229 0.86 BCAT2 (0.57) SMN1; SMN2LMNABCAT2KMT2ACHRNB2
SCHEMBL11244471 0.85 BCAT2 (0.60) SMN1; SMN2BCAT2KMT2ACHRNB2CHRNB4
SCHEMBL3630027 0.83 SMN1; SMN2 (0.58) SMN1; SMN2LMNABCAT2KMT2ACHRNB2
SCHEMBL8618099 0.83 BCAT2 (0.53) SMN1; SMN2LMNABCAT2KMT2ACHRNB2
SCHEMBL27707879 0.82 NR4A2 (0.43) SMN1; SMN2FFAR1CYP1A2LMNARAB9A
SCHEMBL4529250 0.82 BCAT2 (0.61) SMN1; SMN2LMNABCAT2KMT2ACHRNB2
SCHEMBL28023427 0.81 GPR52 (0.56) SMN1; SMN2FFAR1RAB9ABCAT2KMT2A
SCHEMBL27539512 0.81 BCAT2 (0.55) SMN1; SMN2LMNABCAT2KMT2ACHRNB2
SCHEMBL30522208 0.80 LTB4R2 (0.55) SMN1; SMN2BCAT2KMT2ACHRNB2CHRNB4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0180290-B1 OMEGA-(2',4'-DIHALOBIPHENYLYL)OXO ALKANOIC ACIDS AND PROCESS FOR THEIR PREPARATION SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1987-10-28 EP disclosed
US-4683331-A ANTIINFLAMMATORY SPOFA SPOJENE PODNIKY PRO ZDRAVOTNICKOU (CS) 1987-07-28 US disclosed
EP-0180290-A1 Omega-(2',4'-dihalobiphenylyl)oxo alkanoic acids and process for their preparation SPOFA Spojené Podniky Pro Zdravotnickou Vyrobu (CS) 1986-05-07 EP disclosed
EP-0010347-B1 NOVEL SUBSTITUTED OMEGA-AROYL(PROPIONYL OR BUTYRYL)-L-PROLINES, PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AND PROCESSES FOR THEIR PREPARATION AMERICAN CYANAMID COMPANY (US) 1983-11-09 EP disclosed
US-4226775-A HYPOTENSIVE AGENTS AMERICAN CYANAMID COMPANY (US) 1980-10-07 US disclosed
EP-0010347-A1 Novel substituted omega-aroyl(propionyl or butyryl)-L-prolines, pharmaceutical compositions containing them and processes for their preparation AMERICAN CYANAMID COMPANY (US) 1980-04-30 EP disclosed