SCHEMBL30967903

SCHEMBL30967903

COC(=O)C(O)Cc1cccc(Br)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
POLB P06746 1/20 0.46
MAPT P10636 1/20 0.46
HCAR2 Q8TDS4 1/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44
CYP2D6 P10635 1/20 0.44
CYP2C19 P33261 1/20 0.44
PTGES O14684 1/20 0.44
CTSB P07858 1/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
MAOB P27338 2/20 0.43
GLA P06280 1/20 0.43
LMNA P02545 1/20 0.43
HPGD P15428 1/20 0.43
SIGMAR1 Q99720 1/20 0.43
TAAR1 Q96RJ0 1/20 0.42

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
SCHEMBL29237350 1.00 ALDH1A1 (0.46) ALDH1A1POLBMAPTHCAR2MEN1
SCHEMBL28421355 0.86 MMP8 (0.44) ALDH1A1MAPTHCAR2CYP1A2PTGES
SCHEMBL28421353 0.86 MMP8 (0.44) ALDH1A1MAPTHCAR2CYP1A2PTGES
SCHEMBL30595465 0.86 MMP8 (0.44) ALDH1A1MAPTHCAR2CYP1A2PTGES
SCHEMBL8194223 0.86 ALDH1A1 (0.47) ALDH1A1POLBMAPTHCAR2MEN1
SCHEMBL18367812 0.84 ALDH1A1 (0.49) ALDH1A1POLBMAPTHCAR2MEN1
SCHEMBL27641743 0.84 ALDH1A1 (0.49) ALDH1A1POLBMAPTHCAR2MEN1
SCHEMBL30967759 0.84 ALDH1A1 (0.46) ALDH1A1POLBMAPTHCAR2MEN1
SCHEMBL29237625 0.84 ALDH1A1 (0.46) ALDH1A1POLBMAPTHCAR2MEN1
SCHEMBL12934221 0.84 ALDH1A1 (0.49) ALDH1A1POLBMAPTHCAR2MEN1

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-118201919-A Indole compounds and methods of use 健赞公司 2024-06-14 CN disclosed