SCHEMBL6236504

SCHEMBL6236504

O=C(O)Cc1ccc(OC(c2ccccc2)c2cccnc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.51
F2 P00734 2/20 0.49
PRSS1 P07477 1/20 0.49
SRD5A2 P31213 2/20 0.46
TBXAS1 P24557 2/20 0.44
MMP1 P03956 1/20 0.43
MMP2 P08253 1/20 0.43
MMP9 P14780 1/20 0.43
MMP13 P45452 1/20 0.43
ITGB3 P05106 3/20 0.42
ITGAV P06756 3/20 0.42
ITGB1 P05556 1/20 0.42
ITGB6 P18564 1/20 0.42
FFAR1 O14842 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALOX15 P16050 1/20 0.42
EPHX2 P34913 1/20 0.41
FAAH O00519 1/20 0.41
AKR1B1 P15121 1/20 0.41
ADRB1 P08588 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
SCHEMBL25033296 0.87 SRD5A2 (0.57) F2PRSS1SRD5A2MMP1MMP2
SCHEMBL8775797 0.81 MMP1 (0.45) F2PRSS1SRD5A2TBXAS1MMP1
SCHEMBL6239650 0.74 TDP1 (0.48) SRD5A2FFAR1ALOX15
SCHEMBL8775947 0.73 MAPK1 (0.47) F2PRSS1SMN1; SMN2ADRB1ADRB3
SCHEMBL25033297 0.73 KLK7 (0.52) F2PRSS1SRD5A2FFAR1
SCHEMBL27662594 0.73 FFAR1 (0.73) SRD5A2FFAR1AKR1B1
SCHEMBL27662443 0.73 FFAR1 (0.73) SRD5A2FFAR1AKR1B1
SCHEMBL11490486 0.73 SRD5A2 (0.50) SRD5A2FFAR1ALOX15AKR1B1
SCHEMBL4565148 0.73 FFAR1 (0.73) SRD5A2FFAR1AKR1B1
SCHEMBL8775901 0.73 ALDH1A1 (0.47) SRD5A2SMN1; SMN2

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