SCHEMBL6239925

SCHEMBL6239925

O=C(O)Cc1ccc(Oc2c(Br)ccc3ccccc23)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRD5A2 P31213 2/20 0.50
THRA P10827 5/20 0.48
THRB P10828 5/20 0.48
AKR1B1 P15121 3/20 0.48
NR3C1 P04150 2/20 0.46
NR1H4 Q96RI1 2/20 0.44
ALDH1A1 P00352 2/20 0.43
MAPT P10636 1/20 0.43
POLB P06746 1/20 0.43
GAA P10253 2/20 0.42
KDM4E B2RXH2 1/20 0.42
GLA P06280 1/20 0.42
HPGD P15428 1/20 0.42
HSD17B10 Q99714 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
ABCC4 O15439 1/20 0.41
LMNA P02545 1/20 0.41
TSHR P16473 1/20 0.41
PTGS1 P23219 1/20 0.41
HTT P42858 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
SCHEMBL6237474 0.84 SRD5A2 (0.50) SRD5A2AKR1B1NR3C1NR1H4ALDH1A1
SCHEMBL6239365 0.83 SRD5A2 (0.49) SRD5A2THRATHRBAKR1B1NR3C1
SCHEMBL6241535 0.77 CARM1 (0.56) SRD5A2AKR1B1NR3C1NR1H4ALDH1A1
SCHEMBL10885686 0.75 LMNA (0.47) SRD5A2THRATHRBAKR1B1NR1H4
SCHEMBL6235731 0.75 SRD5A2 (0.64) SRD5A2AKR1B1NR3C1NR1H4POLB
SCHEMBL1145770 0.74 SRD5A2 (0.83) SRD5A2AKR1B1NR3C1GAAABCC4
SCHEMBL21243832 0.72 SRD5A2 (0.72) SRD5A2THRATHRBAKR1B1NR3C1
SCHEMBL2999416 0.72 SRD5A2 (0.72) SRD5A2THRATHRBAKR1B1NR3C1
SCHEMBL3586863 0.71 KDM4E (0.67) AKR1B1ALDH1A1MAPTGAAKDM4E
SCHEMBL7189113 0.70 FFAR1 (0.57) SRD5A2AKR1B1

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