SCHEMBL28541985

SCHEMBL28541985

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

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.50
CYP4A11 Q02928 1/20 0.50
TRPV1 Q8NER1 1/20 0.49
ALDH1A1 P00352 5/20 0.47
POLB P06746 2/20 0.47
PDCD1 Q15116 1/20 0.46
CD274 Q9NZQ7 1/20 0.46
RARB P10826 2/20 0.45
MAPT P10636 2/20 0.44
NPC1 O15118 2/20 0.44
RAB9A P51151 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
NPSR1 Q6W5P4 2/20 0.42
LMNA P02545 2/20 0.42
MAPK1 P28482 1/20 0.42
UBE2N P61088 1/20 0.42
PLK1 P53350 1/20 0.42
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL28278396 0.89 ALDH1A1 (0.50) CYP4F2CYP4A11TRPV1ALDH1A1POLB
SCHEMBL28279403 0.88 LMNA (0.48) CYP4F2CYP4A11TRPV1ALDH1A1POLB
SCHEMBL28279391 0.88 NPC1 (0.47) TRPV1ALDH1A1POLBRARBMAPT
SCHEMBL28279359 0.87 NPC1 (0.47) TRPV1ALDH1A1POLBRARBMAPT
SCHEMBL28278027 0.83 NPC1 (0.47) CYP4F2CYP4A11TRPV1ALDH1A1POLB
SCHEMBL6900287 0.83 CYP4A11 (0.71) CYP4F2CYP4A11TRPV1ALDH1A1PDCD1
SCHEMBL28551050 0.82 NPC1 (0.47) ALDH1A1POLBMAPTNPC1RAB9A
SCHEMBL28278028 0.81 ALDH1A1 (0.52) CYP4F2CYP4A11ALDH1A1POLBMAPT
SCHEMBL28548556 0.80 LMNA (0.50) CYP4F2CYP4A11ALDH1A1POLBMAPT
SCHEMBL28549109 0.80 ALDH1A1 (0.54) ALDH1A1POLBMAPTNPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed