SCHEMBL6238428

SCHEMBL6238428

O=C(O)Cc1ccc(OCc2c(F)cccc2Cl)cc1

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.55
NR1H4 Q96RI1 7/20 0.53
PPARD Q03181 3/20 0.53
SMN1; SMN2 Q16637 2/20 0.52
KDM4E B2RXH2 2/20 0.52
RAB9A P51151 1/20 0.52
NPSR1 Q6W5P4 1/20 0.51
POLB P06746 1/20 0.51
TP53 P04637 1/20 0.50
FABP1 P07148 1/20 0.50
FABP4 P15090 1/20 0.50
ALKBH1 Q13686 1/20 0.50
AKR1B1 P15121 1/20 0.49
SLC22A12 Q96S37 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
SCHEMBL6245446 0.90 NR1H4 (0.47) NR1H4PPARDFABP1FABP4ALKBH1
SCHEMBL3499309 0.90 NR1H4 (0.58) NR1H4PPARDSMN1; SMN2FABP1FABP4
SCHEMBL29435095 0.84 ITGA4 (0.53) HPGDSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL10565484 0.84 NR1H4 (0.53) NR1H4PPARDSMN1; SMN2FABP1FABP4
SCHEMBL29576251 0.84 HPGD (0.50) HPGDSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL6240957 0.82 NR1H4 (0.52) NR1H4PPARD
SCHEMBL15085666 0.81 PTPN1 (0.55) HPGDSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL19715977 0.81 PTPN1 (0.55) HPGDSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL15380599 0.81 SMN1; SMN2 (0.56) HPGDSMN1; SMN2KDM4ERAB9ANPSR1
SCHEMBL2088391 0.80 MAOB (0.44) HPGDSMN1; SMN2KDM4ERAB9ANPSR1

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
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO claimed
WO-2005009104-A2 BENZOIC AND PHENYL ACETIC ACID DERIVATIVES AS HNF-4 MODULATORS LIGAND PHARMACUETICALS INCORPORATED (US) 2005-02-03 WO disclosed