SCHEMBL29038802

SCHEMBL29038802

CCCCc1ccc(C(=O)OP(=O)(O)OC(C)(C)c2ccccc2)cc1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TRPV1 Q8NER1 1/20 0.47
RARB P10826 2/20 0.43
PLK1 P53350 2/20 0.43
KIF11 P52732 1/20 0.41
CETP P11597 3/20 0.40
ALDH1A1 P00352 1/20 0.40
HPGD P15428 1/20 0.40
HSD17B10 Q99714 1/20 0.40
CYP2J2 P51589 1/20 0.39
TMEM97 Q5BJF2 1/20 0.39
SIGMAR1 Q99720 1/20 0.39
THRA P10827 1/20 0.39
THRB P10828 1/20 0.39
S1PR1 P21453 1/20 0.39
S1PR3 Q99500 1/20 0.39
PLK3 Q9H4B4 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
SCHEMBL29017969 0.93 PLK1 (0.40) TRPV1PLK1KIF11ALDH1A1CYP2J2
SCHEMBL29038810 0.89 ALDH1A1 (0.41) PLK1KIF11ALDH1A1HPGD
SCHEMBL29017995 0.81 NPC1 (0.41) ALDH1A1HSD17B10
SCHEMBL29017987 0.77 ALDH1A1 (0.40) PLK1KIF11ALDH1A1HPGDHSD17B10
SCHEMBL28709353 0.77 PLK1 (0.57) TRPV1RARBPLK1ALDH1A1HPGD
SCHEMBL28931706 0.74 TRPV1 (0.52) TRPV1RARBPLK1ALDH1A1HPGD
SCHEMBL28048468 0.73 RARB (0.51) TRPV1RARBPLK1CETPALDH1A1
SCHEMBL6939515 0.72 TRPV1 (0.59) TRPV1RARBPLK1ALDH1A1HPGD
SCHEMBL28695446 0.72 PLK1 (0.46) TRPV1RARBPLK1THRATHRB
SCHEMBL8849102 0.72 ALDH1A1 (0.54) ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113929798-B Solid catalyst component and catalyst system for olefin polymerization 中国石油化工股份有限公司 2023-07-21 CN claimed