SCHEMBL9769889

SCHEMBL9769889

CC(C)(C)CC(C)(C)c1ccc(OC(=O)c2ccccc2Oc2ccc(C(C)(C)CC(C)(C)C)cc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 4/20 0.58
MAPT P10636 4/20 0.58
TDP1 Q9NUW8 2/20 0.47
CYP1A2 P05177 3/20 0.46
CYP2C9 P11712 3/20 0.46
CYP2C19 P33261 3/20 0.46
CYP3A4 P08684 2/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
PTGS2 P35354 1/20 0.45
HPGD P15428 1/20 0.45
XBP1 P17861 1/20 0.45
L3MBTL1 Q9Y468 2/20 0.43
SMN1; SMN2 Q16637 2/20 0.43
SHBG P04278 1/20 0.41
RECQL P46063 1/20 0.40
MDH1 P40925 2/20 0.40
MDH2 P40926 2/20 0.40
CTNNB1 P35222 1/20 0.40

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
SCHEMBL9769806 0.88 TDP1 (0.60) NPSR1MAPTTDP1CYP1A2CYP2C9
SCHEMBL699306 0.86 NPSR1 (0.48) NPSR1MAPTTDP1CYP2C9CYP3A4
SCHEMBL5929171 0.85 NPSR1 (0.78) NPSR1MAPTTDP1CYP1A2CYP2C9
SCHEMBL698506 0.84 HPGD (0.58) NPSR1MAPTTDP1CYP3A4HPGD
SCHEMBL9769878 0.84 CYP1A2 (0.47) NPSR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL9769816 0.82 MAPT (0.62) NPSR1MAPTTDP1CYP1A2CYP2C9
SCHEMBL10529183 0.79 MAPT (0.69) MAPTTDP1CYP3A4MEN1KMT2A
SCHEMBL4382990 0.77 CYP1A2 (0.65) NPSR1MAPTCYP1A2CYP2C9CYP2C19
SCHEMBL767125 0.76 CTNNB1 (0.65) NPSR1MAPTTDP1CYP1A2CYP2C9
Phenyl Salicylate SCHEMBL28115280 0.76 HSD17B10 (0.55) NPSR1MAPTCYP1A2CYP2C9CYP2C19

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-4999333-A For facsimile and thermal printing FUJI PHOTO FILM CO., LTD. (JP) 1991-03-12 US disclosed