SCHEMBL11554530

SCHEMBL11554530

O=C(c1ccccc1Br)C1CC1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 1/20 0.50
ALDH1A1 P00352 2/20 0.45
L3MBTL3 Q96JM7 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
F2R P25116 1/20 0.44
MAPT P10636 1/20 0.42
NPC1 O15118 2/20 0.42
ALPL P05186 1/20 0.42
ALPI P09923 1/20 0.42
ALPG P10696 1/20 0.42
PDK2 Q15119 1/20 0.42
KMT2A Q03164 1/20 0.42
RAB9A P51151 1/20 0.42
LMNA P02545 1/20 0.41
POLB P06746 1/20 0.41

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
SCHEMBL29573375 1.00 MGLL (0.50) MGLLALDH1A1L3MBTL3L3MBTL1F2R
SCHEMBL31348998 0.92 F2R (0.52) MGLLALDH1A1L3MBTL3L3MBTL1F2R
SCHEMBL16163222 0.90 F2R (0.51) MGLLALDH1A1L3MBTL3L3MBTL1F2R
SCHEMBL14688169 0.87 CNR2 (0.45) MGLLALDH1A1L3MBTL3L3MBTL1F2R
SCHEMBL16501423 0.87 HTR3E (0.55) MGLLALDH1A1L3MBTL3L3MBTL1F2R
SCHEMBL16501426 0.84 MGLL (0.52) MGLLL3MBTL3L3MBTL1NPC1RAB9A
SCHEMBL3804494 0.83 MGLL (0.58) MGLLALDH1A1L3MBTL3L3MBTL1KMT2A
SCHEMBL8141006 0.81 MGLL (0.40) MGLLALDH1A1L3MBTL3L3MBTL1F2R
SCHEMBL14831804 0.81 PDK2 (0.41) MGLLF2RMAPTNPC1PDK2
SCHEMBL30537929 0.81 MGLL (0.40) MGLLALDH1A1L3MBTL3L3MBTL1F2R

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
WO-2022040157-A1 BORON CONTAINING COMPOUNDS AND THEIR USES 5METIS, INC. (US) 2022-02-24 WO disclosed
US-4137324-A Optionally substituted phenyl-α-cyclopropyl acetic acid esters and use as insecticides NATIONAL RESEARCH DEVELOPMENT CORPORATION (GB) 1979-01-30 US disclosed