SCHEMBL11236875

SCHEMBL11236875

COc1ccc(C(=O)NNC(=O)c2ccccc2O)c(O)c1

nearest known ligand 0.77

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.77
LMNA P02545 2/20 0.77
CYP1A2 P05177 2/20 0.77
PGR P06401 2/20 0.77
SLC6A2 P23975 2/20 0.77
CYP2C19 P33261 2/20 0.77
CYP3A4 P08684 2/20 0.77
ADORA3 P0DMS8 1/20 0.77
AR P10275 1/20 0.77
CHRM1 P11229 1/20 0.77
ALOX15 P16050 1/20 0.77
TBXA2R P21731 1/20 0.77
ADRA1A P35348 1/20 0.77
HIF1A Q16665 1/20 0.77
MEN1 O00255 6/20 0.63
KMT2A Q03164 6/20 0.63
NPC1 O15118 6/20 0.63
RAB9A P51151 5/20 0.63
MAPT P10636 1/20 0.63
SMN1; SMN2 Q16637 1/20 0.63

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
SCHEMBL11324398 0.92 NPC1 (0.72) HPGDLMNACYP1A2PGRSLC6A2
Dioxybenzone SCHEMBL7936480 0.87 LMNA (1.00) HPGDLMNACYP1A2PGRSLC6A2
Dioxybenzone SCHEMBL29354139 0.87 LMNA (1.00) HPGDLMNACYP1A2PGRSLC6A2
Dioxybenzone SCHEMBL6674075 0.87 LMNA (1.00) HPGDLMNACYP1A2PGRSLC6A2
Dioxybenzone SCHEMBL15894 0.87 LMNA (1.00) HPGDLMNACYP1A2PGRSLC6A2
Dioxybenzone SCHEMBL29365575 0.87 LMNA (1.00) HPGDLMNACYP1A2PGRSLC6A2
Dioxybenzone SCHEMBL29364693 0.87 LMNA (1.00) HPGDLMNACYP1A2PGRSLC6A2
SCHEMBL11326714 0.86 MEN1 (0.78) HPGDLMNACYP1A2PGRSLC6A2
SCHEMBL6322637 0.84 CA1 (0.59) HPGDLMNACYP1A2PGRSLC6A2
SCHEMBL11319471 0.84 NPC1 (0.62) HPGDLMNACYP1A2PGRSLC6A2

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-4324682-A PRESSURE RUPTURABLE; FOR MARKING AND IDENTIFICATION AMERICAN CYANAMID COMPANY (US) 1982-04-13 US disclosed
US-3960755-A Detecting compositions and method of using same AMERICAN CYANAMID COMPANY (US) 1976-06-01 US disclosed