SCHEMBL29030409

SCHEMBL29030409

O=C(OCCCO)c1ccc(C=Cc2ccccc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.59
LMNA P02545 3/20 0.47
HDAC1 Q13547 1/20 0.47
PPARA Q07869 2/20 0.47
ESR1 P03372 3/20 0.45
ESR2 Q92731 1/20 0.45
PPARG P37231 1/20 0.45
SNCA P37840 1/20 0.44
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
CYP1A2 P05177 2/20 0.44
TSHR P16473 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP2D6 P10635 1/20 0.44
MAPK1 P28482 1/20 0.44
NR1H2 P55055 1/20 0.44
RNASEL Q05823 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP3A4 P08684 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
SCHEMBL29030413 0.90 TDP1 (0.53) TDP1LMNAHDAC1PPARAESR1
SCHEMBL9815319 0.87 TDP1 (0.53) TDP1LMNAESR1SNCANPC1
SCHEMBL344616 0.85 TDP1 (0.81) TDP1LMNAESR1ESR2NPC1
SCHEMBL29030371 0.84 LMNA (0.47) TDP1LMNAESR1SNCANPC1
SCHEMBL29030437 0.83 HDAC1 (0.53) TDP1LMNAHDAC1PPARAPPARG
SCHEMBL10660561 0.83 SNCA (0.51) TDP1LMNAESR1ESR2SNCA
SCHEMBL25196319 0.83 BCHE (0.55) TDP1LMNAALDH1A1CYP3A4
SCHEMBL726435 0.83 TDP1 (0.63) TDP1LMNAESR1NPC1RAB9A
SCHEMBL27517367 0.82 TDP1 (0.56) TDP1LMNAHDAC1NPC1RAB9A
SCHEMBL13291875 0.82 TDP1 (0.65) TDP1LMNAESR1ESR2NPC1

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-116410365-A Polypropylene catalyst and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed
CN-116410367-A Catalyst system for ethylene polymerization and preparation method and application thereof 中国石油天然气股份有限公司 2023-07-11 CN disclosed