SCHEMBL27809376

SCHEMBL27809376

CC(C)c1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 2/20 0.52
GABRA1 P14867 2/20 0.44
GABRB2 P47870 2/20 0.44
ALDH1A1 P00352 5/20 0.44
TSHR P16473 2/20 0.44
TDP1 Q9NUW8 1/20 0.44
KIF11 P52732 1/20 0.38
ALOX12 P18054 1/20 0.36
CYP3A4 P08684 2/20 0.35
CYP1A2 P05177 2/20 0.35
LMNA P02545 2/20 0.35
FAAH O00519 1/20 0.35
CA1 P00915 1/20 0.35
HPGD P15428 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
PTGS1 P23219 1/20 0.35
SLC6A2 P23975 1/20 0.35
HTR2C P28335 1/20 0.35
GABRB3 P28472 1/20 0.35

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
SCHEMBL16884652 0.89 CA2 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30419675 0.89 GABRA1 (0.43) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL14159024 0.87 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL16884657 0.87 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL8985711 0.87 CA2 (0.41) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL28958219 0.87 ALDH1A1 (0.56) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL30518107 0.86 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL27817007 0.83 CA2 (0.39) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL17988496 0.82 CA2 (0.38) CA2GABRA1GABRB2ALDH1A1TSHR
SCHEMBL31375389 0.80 CA2 (0.36) CA2GABRA1GABRB2ALDH1A1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101724161-A Method for improving melt strength of polypropylene CHINA PETROLEUM & CHEMICAL 2010-06-09 CN claimed
CN-105504170-A High melt strength polypropylene preparation method SINOPEC YANGZI PETROCHEMICAL 2016-04-20 CN disclosed
CN-105440216-A High-melt-strength polypropylene and preparation method thereof SINOPEC YANGZI PETROCHEMICAL 2016-03-30 CN disclosed
CN-101724161-B Method for improving melt strength of polypropylene CHINA PETROLEUM & CHEMICAL 2012-02-29 CN disclosed
CN-101724161-B Method for improving melt strength of polypropylene CHINA PETROLEUM & CHEMICAL 2012-02-29 CN disclosed
CN-101857695-B Method for simultaneously improving impact strength and melt flowability of polypropylene copolymer CHINA PETROLEUM & CHEMICAL 2012-01-25 CN disclosed
CN-101857695-B Method for simultaneously improving impact strength and melt flowability of polypropylene copolymer CHINA PETROLEUM & CHEMICAL 2012-01-25 CN disclosed
CN-101857695-A Method for simultaneously improving impact strength and melt flowability of polypropylene copolymer CHINA PETROLEUM & CHEMICAL 2010-10-13 CN disclosed
CN-101857695-A Method for simultaneously improving impact strength and melt flowability of polypropylene copolymer CHINA PETROLEUM & CHEMICAL 2010-10-13 CN disclosed
CN-101724161-A Method for improving melt strength of polypropylene CHINA PETROLEUM & CHEMICAL 2010-06-09 CN disclosed
CN-101724161-A Method for improving melt strength of polypropylene CHINA PETROLEUM & CHEMICAL 2010-06-09 CN disclosed