Sugi Predict

Sugi Predict / Compounds / Isopropylbenzene

Isopropylbenzene

Isopropylbenzene

SCHEMBL28035524

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

nearest known ligand 0.46

Full drug profile on Sugi Atlas →

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.46
▸ KMT2A Q03164 3/20 0.46
▸ GAA P10253 1/20 0.46
▸ TDP1 Q9NUW8 1/20 0.46
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ ALOX15 P16050 1/20 0.42
▸ MEN1 O00255 2/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ DHODH Q02127 1/20 0.40
▸ CRHBP P24387 1/20 0.40
▸ CRHR2 Q13324 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ HDAC8 Q9BY41 1/20 0.40
▸ TRPA1 O75762 2/20 0.40
▸ KDM4E B2RXH2 1/20 0.40
▸ TAAR1 Q96RJ0 1/20 0.40
▸ MCL1 Q07820 1/20 0.39
▸ OPRM1 P35372 1/20 0.39

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
Chlorobenzene SCHEMBL28035530 0.87 NR4A1 (0.45) ALDH1A1KMT2AGAATDP1NPC1
Isopropylbenzene SCHEMBL28035521 0.83 CRHBP (0.43) ALDH1A1KMT2AGAATDP1NPC1
SCHEMBL28035959 0.83 ALDH1A1 (0.44) ALDH1A1KMT2AGAATDP1NPC1
Ammonia Solution, Strong SCHEMBL11877644 0.82 ALDH1A1 (0.56) ALDH1A1KMT2AGAATDP1ALOX15
Tert-Butylbenzene SCHEMBL28278111 0.81 HCAR2 (0.42) ALDH1A1KMT2AGAATDP1RAB9A
Isobutylbenzene SCHEMBL28035953 0.81 DHODH (0.45) ALDH1A1KMT2AGAATDP1NPC1
M-Xylene SCHEMBL28035950 0.81 POLB (0.50) ALDH1A1KMT2AGAATDP1NPC1
Hydrogen Peroxide SCHEMBL9514730 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AGAATDP1ALOX15
SCHEMBL29657201 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AGAATDP1ALOX15
SCHEMBL254364 0.80 ALDH1A1 (0.59) ALDH1A1KMT2AGAATDP1ALOX15

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 10 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-109553712-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 — — CN disclosed
CN-109553703-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 — — CN disclosed
CN-109553711-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 — — CN disclosed
CN-109553705-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 — — CN disclosed
CN-109553708-A A kind of catalytic component and preparation method thereof for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 — — CN disclosed
CN-109553709-A A kind of catalytic component and its catalyst for olefinic polymerization 中国石油化工股份有限公司 2019-04-02 — — CN disclosed
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