Isopropylbenzene

Isopropylbenzene

SCHEMBL2462003

CC(C)c1ccccc1.Cc1ccc(C)c(Cl)c1

nearest known ligand 0.43

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HTT P42858 2/20 0.41
CYP3A4 P08684 1/20 0.41
RAPGEF4 Q8WZA2 1/20 0.41
GAA P10253 4/20 0.40
MAPT P10636 4/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
AGTR1 P30556 1/20 0.40
BRD4 O60885 1/20 0.40
LMNA P02545 2/20 0.39
EPHX2 P34913 1/20 0.39
HTR1E P28566 1/20 0.39
S1PR3 Q99500 1/20 0.39
CYP2A6 P11509 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
MAPK1 P28482 2/20 0.38
KDM4E B2RXH2 1/20 0.38
RAB9A P51151 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
TRPA1 O75762 1/20 0.38

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
SCHEMBL2462002 0.85 LMNA (0.44) CYP3A4RAPGEF4MAPTLMNACYP2A6
SCHEMBL89325 0.81
Water SCHEMBL28511306 0.79 CYP3A4 (0.54) ALDH1A1CYP3A4RAPGEF4MAPTAGTR1
SCHEMBL1313272 0.79 CYP3A4 (0.54) ALDH1A1CYP3A4RAPGEF4MAPTAGTR1
SCHEMBL824128 0.77 LMNA (0.58) ALDH1A1HTTCYP3A4RAPGEF4GAA
Isopropylbenzene SCHEMBL811511 0.77 TACR1 (0.44) ALDH1A1HTTCYP3A4MAPTSMN1; SMN2
P-Cymene SCHEMBL1292746 0.77 ACHE (0.50) SMN1; SMN2LMNATDP1NPSR1MEN1
Isopropylbenzene SCHEMBL22653317 0.75 ACP3 (0.52) ALDH1A1HTTCYP3A4MAPTSMN1; SMN2
Isopropylbenzene SCHEMBL9448429 0.75 IDO1 (0.45) CYP3A4GAAMAPTSMN1; SMN2LMNA
Isopropylbenzene SCHEMBL5190860 0.75 BRD4 (0.42) ALDH1A1HTTCYP3A4BRD4KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070179065-A1 Resin compositions and methods of using such resin compositions in subterranean applications HALLIBURTON ENERGY SERVICES, INC. 2007-08-02 US claimed
WO-2005085592-A1 RESIN COMPOSITIONS AND METHODS OF USING SUCH RESIN COMPOSITIONS IN SUBTERRANEAN APPLICATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2005-09-15 WO claimed
US-20050197258-A1 Resin compositions and methods of using such resin compositions in subterranean applications HALLIBURTON ENERGY SERVICES, INC. 2005-09-08 US claimed
US-8017561-B2 Resin compositions and methods of using such resin compositions in subterranean applications HALLIBURTON ENERGY SERVICES, INC. (US) 2011-09-13 US disclosed
US-20070179065-A1 Resin compositions and methods of using such resin compositions in subterranean applications HALLIBURTON ENERGY SERVICES, INC. 2007-08-02 US disclosed
US-7211547-B2 Resin compositions and methods of using such resin compositions in subterranean applications HALLIBURTON ENERGY SERVICES, INC. (US) 2007-05-01 US disclosed
WO-2005085592-A1 RESIN COMPOSITIONS AND METHODS OF USING SUCH RESIN COMPOSITIONS IN SUBTERRANEAN APPLICATIONS HALLIBURTON ENERGY SERVICES, INC. (US) 2005-09-15 WO disclosed
US-20050197258-A1 Resin compositions and methods of using such resin compositions in subterranean applications HALLIBURTON ENERGY SERVICES, INC. 2005-09-08 US disclosed
US-6069117-A LIQUID EPOXY RESIN, FLUOROCARBON SURFACTANT FOAMING AGENT, GAS TO PRODUCE A GIVEN DENSITY RANGE; USE IN CONSTRUCTION AND REPAIR OF WELLS; CORROSION RESISTANT, ELASTICITY AND DUCTILITY HALLIBURTON ENERGY SERVICES, INC. (US) 2000-05-30 US disclosed