SCHEMBL7083616

SCHEMBL7083616

CCCC(c1c(O)ccc(C)c1C(C)(C)C)c1c(O)ccc(C)c1C(C)(C)C

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46
ALOX15 P16050 1/20 0.46
CYP2C19 P33261 1/20 0.46
ESR1 P03372 12/20 0.35
ESR2 Q92731 6/20 0.35
AR P10275 2/20 0.35
NQO1 P15559 1/20 0.34
LMNA P02545 1/20 0.31
POLB P06746 1/20 0.31
GAA P10253 1/20 0.30
XBP1 P17861 1/20 0.30
ATM Q13315 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30
L3MBTL1 Q9Y468 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
SCHEMBL808447 0.73 CYP2C9 (0.50) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL1070452 0.73 TP53 (0.50) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL10752941 0.73 NPC1 (0.41) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL29363860 0.73 CYP2C9 (0.50) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL30623136 0.73 TP53 (0.50) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL14861601 0.72 TRPA1 (0.43) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL4596045 0.71 CYP2C9 (0.47) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL223077 0.71 TYR (0.44) TP53ALOX15ESR1LMNA
SCHEMBL29359879 0.69 ESR1 (0.43) TP53CYP2D6CYP2C9ALOX15CYP2C19
SCHEMBL27905066 0.69 ESR1 (0.43) TP53CYP2D6CYP2C9ALOX15CYP2C19

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030190565-A1 Heat developable image recording material FUJI PHOTO FILM CO., LTD. (JP) 2003-10-09 US disclosed
EP-0513824-B1 Process for producing nonionic detergent granules KAO CORP (JP) 1999-08-04 EP disclosed
US-5468516-A Agitation; coating with silicate or metal soap; powder fluidity, noncaking; bulk density KAO CORPORATION (JP) 1995-11-21 US disclosed
EP-0513824-A2 Process for producing nonionic detergent granules KAO CORPORATION (JP) 1992-11-19 EP disclosed