SCHEMBL8993674

SCHEMBL8993674

C=C(C)COCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.54
LMNA P02545 1/20 0.54
CYP1A2 P05177 1/20 0.54
PGR P06401 1/20 0.54
CYP3A4 P08684 1/20 0.54
ADORA3 P0DMS8 1/20 0.54
AR P10275 1/20 0.54
CHRM1 P11229 1/20 0.54
ALOX15 P16050 1/20 0.54
TBXA2R P21731 1/20 0.54
SLC6A2 P23975 1/20 0.54
CYP2C19 P33261 1/20 0.54
ADRA1A P35348 1/20 0.54
HIF1A Q16665 1/20 0.54
PPARD Q03181 1/20 0.51
MAOB P27338 16/20 0.45
MAOA P21397 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL1472661 0.84 LMNA (0.52) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL8993677 0.83 HPGD (0.54) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL9008909 0.83 HPGD (0.59) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL6662580 0.82 HPGD (0.66) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL93256 0.80 HPGD (0.56) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL20496447 0.79 HPGD (0.66) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL9869694 0.79 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL9869466 0.79 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL29384474 0.79 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL29504864 0.79 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4

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
EP-0465034-B1 Photosensitive resin composition for flexographic printing NIPPON PAINT CO LTD (JP) 1996-08-14 EP disclosed
EP-0465034-A1 Photosensitive resin composition for flexographic printing NIPPON PAINT CO., LTD. (JP) 1992-01-08 EP disclosed