SCHEMBL29115293

SCHEMBL29115293

OCCOc1cccc2[c]cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.47
HTR1B P28222 8/20 0.42
HTR1D P28221 2/20 0.42
ALDH1A1 P00352 4/20 0.37
CNR2 P34972 3/20 0.37
MEN1 O00255 3/20 0.37
KMT2A Q03164 3/20 0.37
KDM4E B2RXH2 3/20 0.37
CNR1 P21554 2/20 0.37
RECQL P46063 1/20 0.36
KCNA3 P22001 1/20 0.36
HPGD P15428 2/20 0.35
NPC1 O15118 1/20 0.35
POLB P06746 1/20 0.35
MAPT P10636 1/20 0.35
RAB9A P51151 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
SLC6A4 P31645 2/20 0.34
HRH1 P35367 1/20 0.34
CYP1A2 P05177 1/20 0.34

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
SCHEMBL21630337 0.91 KMT2A (0.45) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL6050120 0.83 CYP2A6 (0.44) HTR1BHTR1DCNR2CNR1KCNA3
SCHEMBL2254327 0.82 HTR1B (0.46) HTR1BHTR1DCNR2CNR1KCNA3
SCHEMBL248878 0.80 CNR2 (0.46) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL7108654 0.80 IDO1 (0.68) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL30498761 0.80 IDO1 (0.68) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL11476266 0.80 CNR1 (0.44) HTR1BHTR1DCNR2MEN1KMT2A
SCHEMBL7085569 0.80 IDO1 (0.44) IDO1HTR1BHTR1DALDH1A1CNR2
SCHEMBL2232272 0.79 CYP2A6 (0.41) HTR1BALDH1A1MEN1KMT2AKDM4E
SCHEMBL5889054 0.75 CYP3A4 (0.46) ALDH1A1KDM4EHPGDPOLBMAPT

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-115703883-A Catalyst and preparation method of polycarbonate 华为技术有限公司 2023-02-17 CN claimed