SCHEMBL29987992

SCHEMBL29987992

COC(=O)c1cc2c(cc1CBr)OC(c1ccccc1)(c1ccccc1)O2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.43
ALDH1A1 P00352 3/20 0.39
LMNA P02545 2/20 0.39
KDM4E B2RXH2 4/20 0.38
TSHR P16473 3/20 0.38
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SRD5A1 P18405 1/20 0.37
SRD5A2 P31213 1/20 0.37
GAA P10253 2/20 0.36
TP53 P04637 1/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
CASP1 P29466 1/20 0.36
CASP7 P55210 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
ALOX5 P09917 1/20 0.35

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
SCHEMBL26409579 1.00 CNR1 (0.43) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL26409622 0.83 CNR1 (0.57) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL29988021 0.83 CNR1 (0.57) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL26409595 0.81 CNR1 (0.58) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL29987973 0.81 CNR1 (0.58) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL26409610 0.76 CNR1 (0.43) CNR1ALDH1A1KDM4EMEN1KMT2A
SCHEMBL26409617 0.76 L3MBTL1 (0.46) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL29988638 0.76 L3MBTL1 (0.46) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL4868416 0.74 ALDH1A1 (0.41) CNR1ALDH1A1LMNAKDM4ETSHR
SCHEMBL19691966 0.73 ALDH1A1 (0.44) ALDH1A1LMNAKDM4ETSHRKMT2A

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
EP-4313980-A1 LACTIVICIN COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS Fedora Pharmaceuticals Inc. (CA) 2024-02-07 EP disclosed
WO-2022208356-A1 LACTIVICIN COMPOUNDS, THEIR PREPARATION AND USE AS ANTIBACTERIAL AGENTS FEDORA PHARMACEUTICALS INC. (CA) 2022-10-06 WO disclosed