SCHEMBL28577102

SCHEMBL28577102

CCCCOC(=O)C(CC)c1ccc(OC)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 1/20 0.51
AKR1C3 P42330 3/20 0.49
AKR1C2 P52895 3/20 0.49
AKR1C1 Q04828 1/20 0.49
PTGS1 P23219 1/20 0.49
L3MBTL1 Q9Y468 2/20 0.48
TDP1 Q9NUW8 2/20 0.48
MAPT P10636 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.44
NPC1 O15118 1/20 0.44
HPGD P15428 1/20 0.44
RAB9A P51151 1/20 0.44
KDM4E B2RXH2 2/20 0.44
LMNA P02545 1/20 0.44
MMP9 P14780 1/20 0.44
MMP8 P22894 1/20 0.44
MMP13 P45452 1/20 0.44
MAPK1 P28482 1/20 0.43
PKM P14618 1/20 0.43
KCNQ2 O43526 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
SCHEMBL28579206 0.92 MAPT (0.51) FAAHAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL28580616 0.85 AKR1C3 (0.53) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL28340192 0.84 LMNA (0.51) FAAHL3MBTL1TDP1MAPTSMN1; SMN2
SCHEMBL28915616 0.84 KDM4E (0.54) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1
SCHEMBL6756399 0.84 KDM4E (0.59) L3MBTL1TDP1MAPTSMN1; SMN2NPC1
SCHEMBL27146207 0.83 AKR1C3 (0.54) FAAHAKR1C3AKR1C2AKR1C1PTGS1
SCHEMBL11493211 0.81 FAAH (0.48) FAAHL3MBTL1TDP1SMN1; SMN2NPC1
SCHEMBL5213990 0.81 MAPK1 (0.57) FAAHL3MBTL1TDP1SMN1; SMN2LMNA
SCHEMBL7783985 0.80 SMN1; SMN2 (0.46) FAAHAKR1C3AKR1C2AKR1C1L3MBTL1
SCHEMBL27746755 0.80 AKR1C3 (0.70) AKR1C3AKR1C2AKR1C1PTGS1L3MBTL1

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-109096420-B Catalyst for olefin polymerization and olefin polymerization method 中国石油化工股份有限公司 2021-05-11 CN disclosed