SCHEMBL9828476

SCHEMBL9828476

Cc1ccc2ccccc2c1C(C)Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 5/20 0.52
TSHR P16473 5/20 0.52
CYP1A2 P05177 5/20 0.52
ALDH1A1 P00352 6/20 0.45
HSD17B10 Q99714 5/20 0.42
TDP1 Q9NUW8 2/20 0.42
ACP3 P15309 1/20 0.40
HPGD P15428 3/20 0.40
HPRT1 P00492 1/20 0.39
HIF1A Q16665 2/20 0.38
CYP3A4 P08684 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPK1 P28482 1/20 0.38
CASP1 P29466 1/20 0.38
RAB9A P51151 1/20 0.38
CASP7 P55210 1/20 0.38
ATM Q13315 1/20 0.38
PAX8 Q06710 1/20 0.38
NCEH1 Q6PIU2 1/20 0.37
CYP1B1 Q16678 1/20 0.37

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
SCHEMBL2126761 0.83 CYP1A2 (0.56) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL19682355 0.82 CYP1A2 (0.54) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
Hydrogen Peroxide SCHEMBL8610674 0.80 CYP1A2 (0.52) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL18242403 0.80 CYP1A2 (0.52) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL1707630 0.80 CYP2A6 (0.52) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL2440482 0.80 TSHR (0.52) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL16582519 0.77 TSHR (0.48) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL10634101 0.77 TSHR (0.48) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL4645643 0.77 L3MBTL1 (0.45) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10
SCHEMBL29853736 0.77 L3MBTL1 (0.45) CYP2A6TSHRCYP1A2ALDH1A1HSD17B10

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
EP-0229100-B1 METHOD FOR THE PREPARATION OF A MACROMOLECULAR CARRIER LOADED WITH A BIOLOGICALLY ACTIVE SUBSTANCE, PRODUCT THUS OBTAINED AND USE THEREOF ONCHOLAB AB (SE) 1991-09-18 EP disclosed
US-4868158-A Method for the production of a macromolecular carrier loaded with a biologically active substance ONCHOLAB AB (SE) 1989-09-19 US disclosed
WO-1986007540-A1 METHOD FOR THE PREPARATION OF A MACROMOLECULAR CARRIER LOADED WITH A BIOLOGICALLY ACTIVE SUBSTANCE, PRODUCT THUS OBTAINED AND USE THEREOF ONCHOLAB AB (SE) 1986-12-31 WO disclosed