SCHEMBL13655462

SCHEMBL13655462

Cc1cc(OC(C)(C)C)c(C2CCCCC2)cc1C(c1cc(C2CCCCC2)c(OC(C)(C)C)cc1C)c1ccccc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 9/20 0.34
PTGDR Q13258 4/20 0.34
USP2 O75604 1/20 0.33
CYP1A2 P05177 1/20 0.33
HTR1A P08908 1/20 0.33
ADRA2A P08913 1/20 0.33
CYP2D6 P10635 1/20 0.33
CHRM1 P11229 1/20 0.33
CYP2C9 P11712 1/20 0.33
DRD1 P21728 1/20 0.33
TBXA2R P21731 1/20 0.33
PTGS1 P23219 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
ADRA1A P35348 1/20 0.33
OPRM1 P35372 1/20 0.33
DRD3 P35462 1/20 0.33
KCNH2 Q12809 1/20 0.33
PTGER2 P43116 1/20 0.31
LMNA P02545 1/20 0.30

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
SCHEMBL29375612 0.83 NUDT1 (0.37) PTGDR2LMNA
SCHEMBL30127784 0.83 NUDT1 (0.37) PTGDR2LMNA
SCHEMBL757158 0.83 NUDT1 (0.37) PTGDR2LMNA
SCHEMBL13655461 0.83 PTGDR2 (0.42) PTGDR2PTGDRUSP2CYP1A2HTR1A
SCHEMBL13655463 0.82 PTPN1 (0.34) PTGDR2
SCHEMBL29484425 0.78 GABRA1 (0.35) PTGDR2CYP1A2CYP2D6CYP2C9LMNA
SCHEMBL760343 0.78 GABRA1 (0.35) PTGDR2CYP1A2CYP2D6CYP2C9LMNA
SCHEMBL14616454 0.77 HTR2A (0.43) PTGDR2ADRA2ACHRM1LMNA
SCHEMBL7804680 0.76 PTGS2 (0.38) LMNA
SCHEMBL15703018 0.75 NUDT1 (0.32)

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