SCHEMBL9705872

SCHEMBL9705872

O=C(O)CCC(=O)c1c(F)ccc(-c2ccccc2)c1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FFAR1 O14842 7/20 0.47
▸ LMNA P02545 2/20 0.47
▸ CYP1A2 P05177 2/20 0.47
▸ HIF1A Q16665 2/20 0.47
▸ RAB9A P51151 1/20 0.47
▸ SMN1; SMN2 Q16637 1/20 0.47
▸ NR4A2 P43354 1/20 0.44
▸ GPR17 Q13304 1/20 0.44
▸ CDK1 P06493 1/20 0.42
▸ CCNB1 P14635 1/20 0.42
▸ CCNA2 P20248 1/20 0.42
▸ CDK2 P24941 1/20 0.42
▸ CYP2C19 P33261 2/20 0.41
▸ ALDH1A1 P00352 1/20 0.41
▸ GAA P10253 1/20 0.41
▸ FFAR4 Q5NUL3 4/20 0.40
▸ PTGER1 P34995 1/20 0.38
▸ PTGER4 P35408 1/20 0.38
▸ PTGER3 P43115 1/20 0.38
▸ PTGER2 P43116 1/20 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
SCHEMBL7505997 0.91 HDAC3 (0.46) FFAR1LMNACYP1A2HIF1ARAB9A
SCHEMBL7503214 0.91 HDAC3 (0.42) FFAR1LMNACYP1A2HIF1ARAB9A
SCHEMBL20773094 0.80 CDK1 (0.44) LMNACYP1A2HIF1ARAB9AGPR17
SCHEMBL9617615 0.78 PTGES (0.39) FFAR1LMNACYP1A2HIF1AGPR17
SCHEMBL28329663 0.77 BCAT2 (0.47) LMNACYP1A2HIF1ACDK1CCNB1
SCHEMBL7642234 0.77 PTGS1 (0.46) FFAR1LMNACYP1A2HIF1ASMN1; SMN2
SCHEMBL2088179 0.76 CES2 (0.52) FFAR1LMNACYP1A2HIF1ARAB9A
SCHEMBL7441533 0.75 CYP1A2 (0.60) FFAR1LMNACYP1A2HIF1ARAB9A
SCHEMBL13824200 0.73 HTT (0.51) LMNASMN1; SMN2CDK1CCNB1CCNA2
SCHEMBL6624366 0.71 HDAC3 (0.43) LMNACYP1A2RAB9ASMN1; SMN2ALDH1A1

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
EP-0465879-A1 Derivatives of 4-(2,4-difluoro-biphenylyl)-2-methyl-4-oxo-butanoic acid VYZKUMNY USTAV PRO FARMACII A BIOCHEMII STATNI PODNIK (CS) 1992-01-15 — — EP disclosed
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