SCHEMBL6796973

SCHEMBL6796973

CC(C)c1ccc(OO)cc1.O=C(OOC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 1/20 0.44
XBP1 P17861 1/20 0.44
TSHR P16473 1/20 0.42
POLB P06746 2/20 0.40
ALDH1A1 P00352 2/20 0.40
KDM4E B2RXH2 1/20 0.40
P2RX7 Q99572 6/20 0.40
TAS1R3 Q7RTX0 1/20 0.40
TAS1R1 Q7RTX1 1/20 0.40
TAS1R2 Q8TE23 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
GPR139 Q6DWJ6 1/20 0.38
ALOX12 P18054 1/20 0.38
MAPT P10636 2/20 0.36
ATM Q13315 1/20 0.36
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
PKM P14618 1/20 0.36

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
Isopropylbenzene SCHEMBL6796969 0.85 TSHR (0.51) HPGDXBP1TSHRPOLBALDH1A1
SCHEMBL29566931 0.80 TSHR (0.63) TSHRPOLBALDH1A1KDM4EP2RX7
SCHEMBL36590 0.80 TSHR (0.63) TSHRPOLBALDH1A1KDM4EP2RX7
Benzoyl Peroxide SCHEMBL2125048 0.75 LMNA (0.55) HPGDXBP1TSHRPOLBALDH1A1
Bicarbonate SCHEMBL11150406 0.73 RAB9A (0.49) HPGDXBP1POLBKDM4ENPC1
Acetone SCHEMBL11207944 0.73 RAB9A (0.49) HPGDXBP1POLBALDH1A1KDM4E
SCHEMBL16628 0.73 RAB9A (0.46) HPGDXBP1POLBALDH1A1KDM4E
SCHEMBL18614728 0.73 RAB9A (0.46) HPGDXBP1POLBALDH1A1KDM4E
SCHEMBL21676265 0.72 TSHR (0.53) TSHRPOLBKDM4EP2RX7TAS1R3
SCHEMBL3829070 0.71 TSHR (0.61) TSHRPOLBALDH1A1KDM4EP2RX7

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-20040162399-A1 impact modifier composition comprises structural units derived from: at least one silicone rubber monomer, a branched acrylate rubber monomer GENERAL ELECTRIC COMPANY 2004-08-19 US disclosed