SCHEMBL9545765

SCHEMBL9545765

CCc1cccc(C(=O)OC(=O)c2cccc(CC)c2C)c1C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.47
GABRA1 P14867 2/20 0.43
GABRB2 P47870 2/20 0.43
NLRP3 Q96P20 2/20 0.41
ALDH1A1 P00352 4/20 0.41
HSD17B10 Q99714 1/20 0.41
CLCN2 P51788 1/20 0.40
CA12 O43570 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA7 P43166 1/20 0.40
CA9 Q16790 1/20 0.40
CA14 Q9ULX7 1/20 0.40
CYP1A2 P05177 1/20 0.39
MRGPRX4 Q96LA9 1/20 0.38
CDC25B P30305 1/20 0.38
TDP1 Q9NUW8 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
HTT P42858 1/20 0.38
LMNA P02545 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
SCHEMBL9545767 0.90 LMNA (0.44) TSHRALDH1A1HSD17B10CLCN2TDP1
SCHEMBL7444828 0.87 ALDH1A1 (0.51) TSHRNLRP3ALDH1A1HSD17B10L3MBTL1
SCHEMBL29028154 0.85 TSHR (0.44) TSHRGABRA1GABRB2NLRP3ALDH1A1
Benzene SCHEMBL28861656 0.85 ALDH1A1 (0.50) TSHRALDH1A1HSD17B10CLCN2HTT
SCHEMBL28351017 0.84 CASP3 (0.53) ALDH1A1CYP1A2TDP1L3MBTL1HTT
SCHEMBL1539077 0.82 TSHR (0.42) TSHRGABRA1GABRB2NLRP3ALDH1A1
SCHEMBL28032864 0.82 TSHR (0.39) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL28708772 0.82 GABRA1 (0.48) TSHRGABRA1GABRB2NLRP3ALDH1A1
SCHEMBL739158 0.82 TSHR (0.52) TSHRGABRA1GABRB2ALDH1A1HSD17B10
SCHEMBL28037410 0.81 TSHR (0.38) TSHRALDH1A1HSD17B10CA12CA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-5186646-A None JP disclosed
JP-H05186646-A POLYPROPYLENE-BASED RESIN COMPOSITION TOSOH CORP 1993-07-27 JP disclosed
EP-0507576-A1 Polypropylene-based resin compositions TOSOH CORPORATION (JP) 1992-10-07 EP disclosed