SCHEMBL13655461

SCHEMBL13655461

Cc1cc(OCC(=O)OC(C)(C)C)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(OCC(=O)OC(C)(C)C)cc1C)c1ccccc1O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 12/20 0.42
PTGDR Q13258 6/20 0.41
ALOX5AP P20292 1/20 0.38
FEN1 P39748 1/20 0.38
PTGER2 P43116 1/20 0.37
HPGD P15428 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HSD17B10 Q99714 2/20 0.36
POLB P06746 2/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
TSHR P16473 1/20 0.36
MAPT P10636 2/20 0.35
CYP2C9 P11712 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C19 P33261 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
USP2 O75604 1/20 0.35
CYP1A2 P05177 1/20 0.35

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) PTGDR2PTGDRALOX5APFEN1PTGER2
SCHEMBL13655468 0.89 PTGDR2 (0.44) PTGDR2PTGDRALOX5APFEN1PTGER2
SCHEMBL13655464 0.87 PTGDR2 (0.41) PTGDR2PTGDRALOX5APFEN1PTGER2
SCHEMBL13588058 0.85 PTGDR2 (0.39) PTGDR2PTGDRALOX5APFEN1PTGER2
SCHEMBL13655462 0.83 PTGDR2 (0.34) PTGDR2PTGDRPTGER2CYP2C9LMNA
SCHEMBL8006791 0.79 PTGDR2 (0.43) PTGDR2PTGDRALOX5APFEN1PTGER2
SCHEMBL3273104 0.79 PTGDR2 (0.59) PTGDR2PTGDRPTGER2MEN1KMT2A
SCHEMBL14487083 0.77 PTGDR2 (0.43) PTGDR2PTGDRPTGER2ALDH1A1MEN1
SCHEMBL757158 0.76 NUDT1 (0.37) PTGDR2ALDH1A1MEN1KMT2ATSHR
SCHEMBL30127784 0.76 NUDT1 (0.37) PTGDR2ALDH1A1MEN1KMT2ATSHR

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