SCHEMBL8105022

SCHEMBL8105022

O=C(O)c1ccc(=O)[nH]c1Cc1cccc(Cl)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.49
MMP1 P03956 1/20 0.48
MMP2 P08253 1/20 0.48
MMP9 P14780 1/20 0.48
MMP12 P39900 1/20 0.48
PDE5A O76074 3/20 0.46
PDE3B Q13370 1/20 0.44
PDE3A Q14432 1/20 0.44
BRS3 P32247 1/20 0.44
DAO P14920 1/20 0.43
PIK3CA P42336 1/20 0.43
ALOX5 P09917 2/20 0.42
CTBP2 P56545 1/20 0.42
DCLRE1B Q9H816 1/20 0.42
RXRA P19793 1/20 0.42
RXRB P28702 1/20 0.42
RXRG P48443 1/20 0.42
APEX1 P27695 1/20 0.41
KDM4A O75164 1/20 0.41
KDM4C Q9H3R0 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
SCHEMBL6205311 0.83 HNF4A (0.45) MMP1MMP2MMP9MMP12KDM4A
SCHEMBL8122044 0.80 MMP1 (0.51) MMP1MMP12DAODHODH
SCHEMBL4380912 0.79 HCAR2 (0.54) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL6473197 0.78 KDM4E (0.47) MMP1MMP2MMP9MMP12ALOX5
SCHEMBL14603936 0.73 HCAR2 (0.54) HCAR2MMP1MMP2MMP9MMP12
SCHEMBL5367116 0.73 HCAR2 (0.50) HCAR2PDE3BPDE3ABRS3CTBP2
SCHEMBL7374000 0.73 TSHR (0.57) HCAR2BRS3CTBP2DCLRE1BRXRA
SCHEMBL10891486 0.71 PIK3CA (0.56) HCAR2MMP9PIK3CACTBP2DCLRE1B
SCHEMBL11322770 0.71 PTPN1 (0.51) HCAR2PIK3CACTBP2APEX1
SCHEMBL401142 0.70 PDE5A (0.64) HCAR2PDE5APDE3BPDE3ABRS3

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
EP-1019391-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO. INC. (US) 2000-07-19 EP disclosed
WO-1999018096-A1 INHIBITORS OF PRENYL-PROTEIN TRANSFERASE MERCK & CO., INC. (US) 1999-04-15 WO disclosed