SCHEMBL29790891

SCHEMBL29790891

Brc1ccc2c(c1)C1(CCO2)CC1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
HTT P42858 1/20 0.47
BLM P54132 1/20 0.47
BACE1 P56817 10/20 0.42
AHR P35869 1/20 0.38
MAOB P27338 1/20 0.36
AKR1B10 O60218 1/20 0.35
AKR1A1 P14550 1/20 0.35
AKR1B1 P15121 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
SCHEMBL30749131 1.00 MAPT (0.47) MAPTLMNAHTTBLMBACE1
SCHEMBL23714913 0.88 LMNA (0.47) MAPTLMNAHTTBLMBACE1
SCHEMBL19889341 0.85 LMNA (0.47) MAPTLMNAHTTBLMBACE1
SCHEMBL30697940 0.83 BACE1 (0.50) MAPTLMNAHTTBLMBACE1
SCHEMBL17802125 0.80 MAPT (0.46) MAPTLMNAHTTBLMBACE1
SCHEMBL29616597 0.80 RARA (0.48) MAPTLMNAHTTBLMBACE1
SCHEMBL2599701 0.80 RARA (0.48) MAPTLMNAHTTBLMBACE1
SCHEMBL30353231 0.78 AKR1B1 (0.55) MAPTBACE1AKR1B10AKR1A1AKR1B1
SCHEMBL30353277 0.78 AKR1B1 (0.35) MAPTAKR1B10AKR1A1AKR1B1
SCHEMBL30353228 0.78 CYP3A4 (0.42) MAPTMAOBAKR1B10AKR1A1AKR1B1

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-114907389-A Boronic acid derivatives 首药控股(北京)股份有限公司 2022-08-16 CN disclosed