Isobutylbenzene

Isobutylbenzene

SCHEMBL28035954

CC(C)Cc1ccccc1.CCC(CC(CC)c1ccccc1C(=O)O)OC(=O)c1ccccc1

nearest known ligand 0.39

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.35
ALDH1A1 P00352 1/20 0.35
CTSK P43235 2/20 0.35
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
DHODH Q02127 1/20 0.35
PRKCA P17252 1/20 0.34
PRKCD Q05655 1/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
PTGS1 P23219 3/20 0.34
PTGS2 P35354 3/20 0.34
LMNA P02545 2/20 0.34
CYP2C9 P11712 2/20 0.34
AKR1C3 P42330 2/20 0.34
CXCR1 P25024 2/20 0.34
CXCR2 P25025 2/20 0.34
TSHR P16473 2/20 0.34
ALB P02768 1/20 0.34
ESR1 P03372 1/20 0.34

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
SCHEMBL28036012 0.88 PRKCA (0.38) ALDH1A1PRKCAPRKCDMEN1KMT2A
Butylbenzyl SCHEMBL28035568 0.86 KMT2A (0.40) ALDH1A1PRKCAPRKCDMEN1KMT2A
Isobutylbenzene SCHEMBL28035520 0.85 DHODH (0.42) ALOX5DHODHPTGS1PTGS2LMNA
SCHEMBL18489602 0.81 PDCD1 (0.44) ALOX5ALDH1A1MEN1KMT2APTGS1
Isobutylbenzene SCHEMBL28035523 0.80 POLB (0.42) ALDH1A1DHODHPRKCAPRKCDMEN1
SCHEMBL18543884 0.77 LMNA (0.41) ALOX5ALDH1A1CTSKCTSLCTSB
SCHEMBL17699420 0.76 CYP4F2 (0.46) ALOX5PRKCAPRKCDPTGS1PTGS2
SCHEMBL17699436 0.75 CYP4F2 (0.43) ALOX5ALDH1A1PRKCAPRKCDPTGS1
SCHEMBL569951 0.74 LMNA (0.49) ALDH1A1PRKCAPRKCDMEN1KMT2A
SCHEMBL14690351 0.74 TSHR (0.53) ALDH1A1PRKCAPRKCDMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN claimed
CN-105085746-A Catalyst component for propylene polymerization, and catalyst thereof CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed
CN-105085726-A Catalyst component for olefin polymerization, and catalyst for olefin polymerization CHINA PETROLEUM & CHEMICAL 2015-11-25 CN disclosed