SCHEMBL11044567

SCHEMBL11044567

c1ccc(CC(Cc2ccccc2)(Cc2ccccc2)OOC(Cc2ccccc2)(Cc2ccccc2)Cc2ccccc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A2 P23975 1/20 0.48
TAAR1 Q96RJ0 1/20 0.48
CYP1A2 P05177 1/20 0.46
CYP2C9 P11712 1/20 0.46
CYP2C19 P33261 1/20 0.46
LMNA P02545 1/20 0.44
CYP2D6 P10635 1/20 0.44
TSHR P16473 3/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
HIF1A Q16665 1/20 0.43
CALM1 P0DP23 1/20 0.43
FDPS P14324 1/20 0.41
IDO1 P14902 2/20 0.40
TRPA1 O75762 2/20 0.39
ALDH1A1 P00352 2/20 0.39
TP53 P04637 1/20 0.39
LOXL2 Q9Y4K0 1/20 0.39
MAOA P21397 1/20 0.39
MAOB P27338 1/20 0.39
AGXT P21549 1/20 0.39

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
SCHEMBL8716066 0.79 SLC6A2 (0.44) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL8717135 0.79 SLC6A2 (0.44) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3341644 0.79 SLC6A2 (0.44) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL8715619 0.79 SLC6A2 (0.44) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL1157985 0.74 SLC6A2 (0.56) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL7271496 0.74 SMN1; SMN2 (0.41) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL14587075 0.74 TAAR1 (0.45) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL11843995 0.73 SLC6A2 (0.55) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL1501365 0.72 TAAR1 (0.43) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19
SCHEMBL3481816 0.72 TAAR1 (0.43) SLC6A2TAAR1CYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4483784-A SIZING COMPOSITION WITH EMULSIFIERS AND LUBRICANTS PPG INDUSTRIES, INC. (US) 1984-11-20 US disclosed
US-4440885-A EMULSION OF ORGANIC PEROXIDE, HYDROCARBON SOLVENT AND NONIONIC SURFACTANT, WITH COUPLING AGENT PPG INDUSTRIES, INC. (US) 1984-04-03 US disclosed
US-4377498-A Aqueous peroxide emulsion for use with glass fibers PPG INDUSTRIES, INC. (US) 1983-03-22 US disclosed