SCHEMBL5604079

SCHEMBL5604079

Cc1ccc2c[c]c[c]c2c1

nearest known ligand 0.42

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 5/20 0.42
CYP2A6 P11509 4/20 0.42
TDP1 Q9NUW8 1/20 0.37
KDM4E B2RXH2 3/20 0.32
MAPT P10636 1/20 0.32
ALDH1A1 P00352 2/20 0.31
LMNA P02545 2/20 0.31
NCK1 P16333 1/20 0.31
BACE1 P56817 1/20 0.31
GAA P10253 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31

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
SCHEMBL5603692 0.83 CYP1A2 (0.42) CYP1A2CYP2A6TDP1KDM4EMAPT
SCHEMBL667864 0.74 CYP1A2 (0.52) CYP1A2CYP2A6TDP1KDM4EMAPT
SCHEMBL130352 0.69 CYP2A6 (0.33) CYP2A6
SCHEMBL645539 0.68 CYP2A6 (0.48) CYP1A2CYP2A6TDP1KDM4EALDH1A1
SCHEMBL820190 0.66 CYP2A6 (0.52) CYP1A2CYP2A6TDP1KDM4EALDH1A1
Water SCHEMBL27539226 0.66 CYP1A2 (0.93) CYP1A2CYP2A6TDP1KDM4EMAPT
SCHEMBL17044590 0.65
SCHEMBL27620166 0.65 CYP2A6 (0.52) CYP1A2CYP2A6TDP1KDM4EMAPT
SCHEMBL2357716 0.65 CYP1A2 (0.41) CYP1A2CYP2A6TDP1KDM4EALDH1A1
SCHEMBL27639240 0.65 CYP2A6 (0.52) CYP1A2CYP2A6TDP1KDM4EMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0694532-B1 Perfluoroalkyl sulfide, sulfone, polysulfone and polysulfide diols CIBA SC HOLDING AG (CH) 2000-05-31 EP claimed
US-7297279-B2 Method for removing oil from water coalescing in a polymer particle/fiber media AMCOL INTERNATIONAL CORPORATION (US) 2007-11-20 US disclosed
US-20060163177-A1 Method for removing oil from water coalescing in a polymer particle/fiber media AMCOL INTERNATIONAL CORPORATION (US) 2006-07-27 US disclosed
US-4224427-A HYDROPHILIC MONOMER, POLYOLEFINIC MACROMER CROSSLINKER, METAL HYDROXIDE GEL CIBA-GEIGY CORPORATION (US) 1980-09-23 US disclosed
US-4136250-A CROSSLINKED, ADDITION MONOMER OR POLYMER CIBA-GEIGY CORPORATION (US) 1979-01-23 US disclosed