Isobutylbenzene

Isobutylbenzene

SCHEMBL28035523

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

nearest known ligand 0.42

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Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NPC1 O15118 1/20 0.41
ALDH1A1 P00352 2/20 0.40
CYP2D6 P10635 2/20 0.39
LMNA P02545 1/20 0.39
CYP1A2 P05177 1/20 0.39
SCN1A P35498 1/20 0.39
SCN2A Q99250 1/20 0.39
SCN3A Q9NY46 1/20 0.39
DHODH Q02127 1/20 0.37
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
TSHR P16473 1/20 0.36
PDCD1 Q15116 1/20 0.36
CD274 Q9NZQ7 1/20 0.36
PRKCG P05129 1/20 0.36
PRKCB P05771 1/20 0.36
PRKCA P17252 1/20 0.36
PRKCH P24723 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
SCHEMBL28035525 0.87 ALDH1A1 (0.44) POLBNPC1ALDH1A1CYP2D6LMNA
Butylbenzyl SCHEMBL28035952 0.85 ALDH1A1 (0.48) POLBNPC1ALDH1A1CYP2D6LMNA
Isobutylbenzene SCHEMBL28035953 0.85 DHODH (0.45) POLBNPC1ALDH1A1LMNACYP1A2
Isobutylbenzene SCHEMBL28178833 0.81 TDP1 (0.47) ALDH1A1CYP2D6LMNACYP1A2MEN1
SCHEMBL18489607 0.81 PDCD1 (0.47) POLBNPC1ALDH1A1CYP2D6LMNA
Isobutylbenzene SCHEMBL28035954 0.80 ALOX5 (0.35) ALDH1A1LMNADHODHMEN1KMT2A
SCHEMBL16366772 0.77 CYP2D6 (0.54) POLBNPC1ALDH1A1CYP2D6LMNA
SCHEMBL6568637 0.77 CYP2D6 (0.54) POLBNPC1ALDH1A1CYP2D6LMNA
SCHEMBL7204826 0.76 NPC1 (0.51) POLBNPC1ALDH1A1LMNACYP1A2
SCHEMBL27628287 0.76 LMNA (0.55) POLBNPC1ALDH1A1CYP2D6LMNA

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