SCHEMBL29112149

SCHEMBL29112149

NCCc1ccc(OB(O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 7/20 0.55
MAOB P27338 4/20 0.50
KDM4E B2RXH2 1/20 0.50
ALDH1A1 P00352 1/20 0.50
HTR1A P08908 1/20 0.50
ADRA2A P08913 1/20 0.50
SLC6A2 P23975 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTR3A P46098 1/20 0.50
BACE1 P56817 1/20 0.50
L3MBTL1 Q9Y468 1/20 0.50
HTR2A P28223 1/20 0.50
BLM P54132 1/20 0.48
KMT2A Q03164 1/20 0.48
TDP1 Q9NUW8 1/20 0.48
CYP1A2 P05177 1/20 0.45
CYP2A6 P11509 1/20 0.45

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
SCHEMBL3591237 0.83 ST14 (0.50) MAOB
Hydrochloric Acid SCHEMBL3457459 0.81 F11 (0.54) MAOB
SCHEMBL28067255 0.81 ST14 (0.48) MAOB
SCHEMBL28749909 0.81 CA2 (0.48) KDM4EALDH1A1BACE1TDP1
SCHEMBL27489645 0.79 TDP1 (0.43) TAAR1HTR2AKMT2ATDP1
SCHEMBL761972 0.79 LPL (0.55) ALDH1A1L3MBTL1KMT2A
SCHEMBL28069904 0.78 HRH3 (0.56) TAAR1MAOBCYP2A6
SCHEMBL28119749 0.78 LTA4H (0.51) ALDH1A1KMT2A
SCHEMBL7931146 0.78 ENPP2 (0.51) TAAR1MAOBTDP1
SCHEMBL3800806 0.76 CA1 (0.38) KMT2A

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925445-A Flame-retardant chloroprene rubber with double-network structure and preparation method thereof 安徽忠德输送工程技术有限公司 2023-10-24 CN claimed
CN-121991517-A Medical silica gel sealing ring material and preparation method thereof 江苏泰胜康医疗科技有限公司 2026-05-08 CN disclosed
CN-116925445-A Flame-retardant chloroprene rubber with double-network structure and preparation method thereof 安徽忠德输送工程技术有限公司 2023-10-24 CN disclosed