SCHEMBL29145136

SCHEMBL29145136

CC(C)COC(=O)n1cnc2ccccc21

nearest known ligand 0.52

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.52
SMN1; SMN2 Q16637 3/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
KMT2A Q03164 3/20 0.49
APAF1 O14727 1/20 0.48
MAPT P10636 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
ASAH1 Q13510 5/20 0.47
MEN1 O00255 1/20 0.46
P2RX4 Q99571 1/20 0.46
TSHR P16473 1/20 0.44
HTT P42858 1/20 0.44
LMNA P02545 1/20 0.43
STAT6 P42226 1/20 0.43
ADRB2 P07550 1/20 0.43
ADRB1 P08588 1/20 0.43
ADRB3 P13945 1/20 0.43

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
SCHEMBL29145182 0.88 SMN1; SMN2 (0.48) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL29145145 0.86 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL29145104 0.85 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL29145185 0.84 SMN1; SMN2 (0.45) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL10504808 0.83 ASAH1 (0.47) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL20522520 0.82 SMN1; SMN2 (0.51) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL2034906 0.81 SIK1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL858086 0.81 MCL1 (0.42) ALDH1A1NPC1RAB9AKMT2AMAPT
SCHEMBL29145099 0.81 ASAH1 (0.53) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A
SCHEMBL1161110 0.81 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2NPC1RAB9AKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN claimed
CN-117430738-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed
CN-117430737-A Catalyst component for olefin polymerization, catalyst and application thereof 中国石油化工股份有限公司 2024-01-23 CN disclosed