SCHEMBL9201734

SCHEMBL9201734

O=C(O)CCCCCCCc1nc(-c2ccccc2Cl)c(-c2ccccc2Cl)[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.46
RXRB P28702 4/20 0.46
NR4A2 P43354 3/20 0.46
LTB4R Q15722 1/20 0.44
MAPT P10636 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
PRKAG1 P54619 2/20 0.42
PRKAA2 P54646 2/20 0.42
PRKAB1 Q9Y478 2/20 0.42
FFAR1 O14842 1/20 0.42
HDAC1 Q13547 2/20 0.40
HDAC2 Q92769 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
TBXAS1 P24557 2/20 0.40
KDM4E B2RXH2 1/20 0.39
LMNA P02545 1/20 0.39
CHRM1 P11229 1/20 0.39
TGFBR1 P36897 1/20 0.39
RXRG P48443 1/20 0.38
PPARD Q03181 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
SCHEMBL9192995 0.84 MAPT (0.46) MAPTHDAC1HDAC2HDAC8TBXAS1
SCHEMBL9193870 0.78 RXRA (0.51) RXRARXRBNR4A2MAPTRXFP1
Adipic Acid SCHEMBL10476896 0.72 HDAC3 (0.57) MAPTRXFP1HDAC1HDAC2HDAC8
SCHEMBL9194841 0.71 TGFBR1 (0.47) RXRARXRBNR4A2LTB4RMAPT
SCHEMBL14565997 0.70 CHRM1 (0.78) MAPTKDM4ELMNACHRM1
SCHEMBL8651802 0.69 CHRM1 (0.49) MAPTRXFP1PRKAG1PRKAA2PRKAB1
SCHEMBL5094451 0.68 KMT2A (0.37)
SCHEMBL7433457 0.68 CHRM1 (0.80) MAPTKDM4ECHRM1
SCHEMBL27413118 0.68 MAPT (0.59) LTB4RMAPTRXFP1FFAR1HDAC1
SCHEMBL27411659 0.68 MAPT (0.59) LTB4RMAPTRXFP1FFAR1HDAC1

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0626969-A4 CoA-IT AND PAF INHIBITORS. SMITHKLINE BEECHAM CORP (US) 1995-04-19 EP disclosed
EP-0626969-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1994-12-07 EP disclosed
WO-1993016674-A1 CoA-IT AND PAF INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 1993-09-02 WO disclosed
EP-0550502-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1993-07-14 EP disclosed
WO-1992004330-A1 SUBSTITUTED IMIDAZOLES, THEIR PREPARATION AND PHARMACEUTICAL COMPOSITIONS SMITH KLINE & FRENCH LABORATORIES LIMITED (GB) 1992-03-19 WO disclosed