SCHEMBL9869694

SCHEMBL9869694

CCCCCCOc1ccc(C(=O)c2ccccc2O)c(O)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 2/20 0.61
LMNA P02545 1/20 0.61
CYP1A2 P05177 1/20 0.61
PGR P06401 1/20 0.61
CYP3A4 P08684 1/20 0.61
ADORA3 P0DMS8 1/20 0.61
AR P10275 1/20 0.61
CHRM1 P11229 1/20 0.61
ALOX15 P16050 1/20 0.61
TBXA2R P21731 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
ADRA1A P35348 1/20 0.61
HIF1A Q16665 1/20 0.61
PTPN11 Q06124 1/20 0.57
MAOB P27338 7/20 0.53
NR5A1 Q13285 1/20 0.53
PLK1 P53350 1/20 0.50
CNR1 P21554 1/20 0.49
CNR2 P34972 1/20 0.49

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
SCHEMBL11546281 1.00 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL809252 1.00 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL433649 1.00 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL29384474 1.00 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL29504864 1.00 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL9869466 1.00 HPGD (0.61) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL27997232 0.96 PTPN11 (0.59) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL27997262 0.96 PTPN11 (0.59) HPGDLMNACYP1A2PGRCYP3A4
SCHEMBL6662580 0.96 HPGD (0.66) HPGDLMNACYP1A2PGRCYP3A4
Octabenzone SCHEMBL7051498 0.94 HPGD (0.59) 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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5019614-A Stabilized polymers SHELL OIL COMPANY (US) 1991-05-28 US disclosed