SCHEMBL28917028

SCHEMBL28917028

c1ccc(-c2ccc3cc4ccccc4cc3c2-c2cccc3cc4ccccc4cc23)cc1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
KDM4E B2RXH2 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
HPGD P15428 3/20 0.41
MAPT P10636 1/20 0.41
MPI P34949 1/20 0.41
ESR1 P03372 3/20 0.39
ESR2 Q92731 3/20 0.39
TNF P01375 1/20 0.39
HSD17B1 P14061 2/20 0.38
HSD17B2 P37059 2/20 0.38
HIF1A Q16665 3/20 0.38
HSD17B10 Q99714 3/20 0.38
CES1 P23141 1/20 0.38
CYP1B1 Q16678 1/20 0.38
GPR84 Q9NQS5 2/20 0.37
GAA P10253 1/20 0.36
SOS1 Q07889 1/20 0.36
RECQL P46063 1/20 0.36

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
SCHEMBL29268789 0.93 ALDH1A1 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL28386170 0.93 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL30332588 0.90 ALDH1A1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL31122661 0.88 ALDH1A1 (0.40) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL3869266 0.87 CES1 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL29410607 0.87 CES1 (0.44) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL32080 0.87 ESR1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL30661015 0.87 ESR1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
SCHEMBL31254074 0.87 ESR1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD
Benzene SCHEMBL27418790 0.87 ESR1 (0.46) ALDH1A1KDM4EMEN1KMT2AHPGD

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-115505100-A Epoxy resin based on spirosilafluorene as skeleton and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115505099-A Epoxy resin containing carbazole structure and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN claimed
CN-115505100-A Epoxy resin based on spirosilafluorene as skeleton and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN disclosed
CN-115505099-A Epoxy resin containing carbazole structure and preparation method and application thereof 中国石油化工股份有限公司 2022-12-23 CN disclosed