SCHEMBL6702247

SCHEMBL6702247

COc1cc(-c2nc(NC(=O)c3c(C)c4cc(C)ccc4n3CC(=O)O)sc2CCC2CCCCC2)c(OC)cc1Cl

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXFP1 Q9HBX9 1/20 0.37
TRPV4 Q9HBA0 3/20 0.35
PLTP P55058 2/20 0.34
MAPT P10636 5/20 0.33
ALDH1A1 P00352 3/20 0.33
TP53 P04637 3/20 0.33
PTGDR2 Q9Y5Y4 2/20 0.33
POLB P06746 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
CYP2C9 P11712 1/20 0.33
HPGD P15428 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
LMNA P02545 2/20 0.33
PI4KB Q9UBF8 1/20 0.32

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
SCHEMBL6704419 0.95 MAPT (0.39) RXFP1TRPV4PLTPMAPTALDH1A1
SCHEMBL6699876 0.93 PTGDR2 (0.35) RXFP1TRPV4PLTPMAPTALDH1A1
SCHEMBL27581733 0.91 TRPV4 (0.34) TRPV4PLTPMAPTALDH1A1TP53
SCHEMBL7686931 0.89 TRPV4 (0.35) TRPV4PLTPMAPTTP53MEN1
SCHEMBL7683689 0.88 TRPV4 (0.35) RXFP1TRPV4PLTPMAPTTP53
SCHEMBL6703653 0.88 MEN1 (0.37) TRPV4PLTPMAPTALDH1A1TP53
SCHEMBL6703995 0.88 MAPT (0.41) RXFP1TRPV4PLTPMAPTALDH1A1
SCHEMBL6702250 0.87 RXFP1 (0.37) RXFP1TRPV4MAPTALDH1A1TP53
SCHEMBL6702244 0.86 RXFP1 (0.37) RXFP1MAPTALDH1A1TP53PTGDR2
SCHEMBL7688220 0.85 TRPV4 (0.35) TRPV4PLTPMAPTTP53MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20040198793-A1 Chemical process and new intermediates SANOFI-SYNTHELABO (FR) 2004-10-07 US disclosed
CN-1478075-A Chemical process and new intermediates ��ŵ�Ѻϳ�ʵ���� 2004-02-25 CN disclosed
EP-1345897-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2003-09-24 EP disclosed
WO-2002044150-A1 CHEMICAL PROCESS AND NEW INTERMEDIATES SANOFI-SYNTHELABO (FR) 2002-06-06 WO disclosed