SCHEMBL13655468

SCHEMBL13655468

Cc1cc(O)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(O)cc1C)c1ccccc1OCC(=O)OC(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.44
PTGDR Q13258 4/20 0.39
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
USP2 O75604 1/20 0.37
CYP1A2 P05177 1/20 0.37
HTR1A P08908 1/20 0.37
ADRA2A P08913 1/20 0.37
CYP2D6 P10635 1/20 0.37
CHRM1 P11229 1/20 0.37
CYP2C9 P11712 1/20 0.37
DRD1 P21728 1/20 0.37
TBXA2R P21731 1/20 0.37
PTGS1 P23219 1/20 0.37
SLC6A2 P23975 1/20 0.37
SLC6A4 P31645 1/20 0.37
ADRA1A P35348 1/20 0.37
OPRM1 P35372 1/20 0.37

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
SCHEMBL8006787 0.92 PTGDR2 (0.46) PTGDR2PTGDRALOX5APFEN1MEN1
SCHEMBL13655461 0.89 PTGDR2 (0.42) PTGDR2PTGDRALOX5APFEN1MEN1
SCHEMBL13655464 0.87 PTGDR2 (0.41) PTGDR2PTGDRALOX5APFEN1MEN1
SCHEMBL13588058 0.85 PTGDR2 (0.39) PTGDR2PTGDRALOX5APFEN1MEN1
SCHEMBL3273104 0.79 PTGDR2 (0.59) PTGDR2PTGDRMEN1KMT2APTGER2
SCHEMBL14487083 0.77 PTGDR2 (0.43) PTGDR2PTGDRMEN1KMT2AALDH1A1
SCHEMBL8006791 0.76 PTGDR2 (0.43) PTGDR2PTGDRALOX5APFEN1MEN1
SCHEMBL29375612 0.76 NUDT1 (0.37) PTGDR2MEN1KMT2AALDH1A1TSHR
SCHEMBL30127784 0.76 NUDT1 (0.37) PTGDR2MEN1KMT2AALDH1A1TSHR
SCHEMBL757158 0.76 NUDT1 (0.37) PTGDR2MEN1KMT2AALDH1A1TSHR

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
US-20090251652-A1 Silica based positive type photosensitive organic compound HITACHI CHEMICAL CO., LTD. 2009-10-08 US disclosed
US-20090251652-A1 Silica based positive type photosensitive organic compound HITACHI CHEMICAL CO., LTD. 2009-10-08 US disclosed