Isopropylbenzene

Isopropylbenzene

SCHEMBL6796969

CC(C)c1ccccc1.O=C(OOC(=O)c1cccc(Cl)c1Cl)c1cccc(Cl)c1Cl.OO

nearest known ligand 0.51

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.51
GPR139 Q6DWJ6 2/20 0.50
P2RX7 Q99572 2/20 0.47
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
TAS1R3 Q7RTX0 1/20 0.43
TAS1R1 Q7RTX1 1/20 0.43
TAS1R2 Q8TE23 1/20 0.43
ERCC5 P28715 1/20 0.43
FEN1 P39748 1/20 0.43
HTR1D P28221 2/20 0.42
ALDH1A1 P00352 2/20 0.42
POLB P06746 2/20 0.42
MAPT P10636 2/20 0.42
HPGD P15428 2/20 0.41
XBP1 P17861 1/20 0.41
ALOX12 P18054 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
MEN1 O00255 1/20 0.40
USP2 O75604 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
SCHEMBL6796973 0.85 HPGD (0.44) TSHRGPR139P2RX7NPC1RAB9A
SCHEMBL36590 0.85 TSHR (0.63) TSHRP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL29566931 0.85 TSHR (0.63) TSHRP2RX7TAS1R3TAS1R1TAS1R2
SCHEMBL4477586 0.82 F2 (0.59) TSHRP2RX7NPC1RAB9AERCC5
SCHEMBL28352383 0.79 TSHR (0.53) TSHRGPR139P2RX7NPC1RAB9A
SCHEMBL28767306 0.78 MAPK1 (0.49) TSHRGPR139TAS1R3TAS1R1TAS1R2
SCHEMBL21676265 0.77 TSHR (0.53) TSHRP2RX7NPC1TAS1R3TAS1R1
Benzoyl Peroxide SCHEMBL2125046 0.74 LMNA (0.68) TSHRNPC1RAB9AALDH1A1POLB
Benzoyl Peroxide SCHEMBL27992938 0.74 LMNA (0.68) TSHRNPC1RAB9AALDH1A1POLB
SCHEMBL993113 0.74 TSHR (0.59) TSHRP2RX7TAS1R3TAS1R1TAS1R2

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