SCHEMBL30600413

SCHEMBL30600413

O=Cc1ccc(C=O)c(-c2ccccc2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.50
NPC1 O15118 2/20 0.50
MEN1 O00255 2/20 0.50
KMT2A Q03164 2/20 0.50
KDM4E B2RXH2 2/20 0.50
POLB P06746 1/20 0.50
IP6K1 Q92551 1/20 0.47
CYP2A6 P11509 1/20 0.44
RAB9A P51151 1/20 0.42
PELI1 Q96FA3 2/20 0.41
LMNA P02545 1/20 0.41
THRB P10828 1/20 0.41
BLM P54132 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
PTPN1 P18031 1/20 0.40
PTPN6 P29350 1/20 0.40
TRIM24 O15164 1/20 0.40
TRIM33 Q9UPN9 1/20 0.40
DRD1 P21728 2/20 0.39
KIF11 P52732 2/20 0.38

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
SCHEMBL10494663 1.00 ALDH1A1 (0.50) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL27826748 0.91 ALDH1A1 (0.46) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL26908516 0.86 ALDH1A1 (0.40) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL29818628 0.84 ALDH1A1 (0.46) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL17422065 0.84 ALDH1A1 (0.46) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL35967 0.83 ALDH1A1 (0.48) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL26908537 0.83 ALDH1A1 (0.39) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL28484119 0.83 ALDH1A1 (0.47) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL9472294 0.82 MEN1 (0.47) ALDH1A1NPC1MEN1KMT2AKDM4E
SCHEMBL31717974 0.81 KMT2A (0.50) ALDH1A1NPC1MEN1KMT2ACYP2A6

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-116940559-A Cyclic diol compound, process for producing the compound, and use of the compound 新日本理化株式会社 2023-10-24 CN disclosed
CN-116829618-A Thermoplastic resin and optical lens comprising the same 三菱瓦斯化学株式会社 2023-09-29 CN disclosed