SCHEMBL29264690

SCHEMBL29264690

NCCc1ccc(OC(=O)O)cc1

nearest known ligand 0.55

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TAAR1 Q96RJ0 5/20 0.53
MAOB P27338 3/20 0.48
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
HTR1A P08908 1/20 0.48
ADRA2A P08913 1/20 0.48
SLC6A2 P23975 1/20 0.48
CYP2C19 P33261 1/20 0.48
HTR3A P46098 1/20 0.48
BACE1 P56817 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
BLM P54132 1/20 0.47
KMT2A Q03164 1/20 0.47
TDP1 Q9NUW8 1/20 0.47
HTR2A P28223 2/20 0.46
CYP2A6 P11509 2/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.46
CYP1A2 P05177 1/20 0.43

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
Hydrochloric Acid SCHEMBL29264777 0.98 TAAR1 (0.52) TAAR1MAOBKDM4EALDH1A1HTR1A
SCHEMBL12569396 0.86 TAAR1 (0.57) TAAR1MAOBKDM4EALDH1A1HTR1A
SCHEMBL29264689 0.86 TAAR1 (0.55) TAAR1MAOBKDM4EALDH1A1HTR1A
Hydrochloric Acid SCHEMBL29264776 0.84 TAAR1 (0.53) TAAR1MAOBKDM4EALDH1A1HTR1A
SCHEMBL28108292 0.83 F2 (0.50) TAAR1MAOBKDM4ECYP2C19SMN1; SMN2
SCHEMBL18274704 0.82 TAAR1 (0.52) TAAR1MAOBKDM4EALDH1A1HTR1A
SCHEMBL15459743 0.82 PPARA (0.56) TDP1
SCHEMBL9642421 0.80 THRB (0.66) ALDH1A1L3MBTL1KMT2ASMN1; SMN2
SCHEMBL12469379 0.80 FFAR1 (0.65) L3MBTL1
SCHEMBL344079 0.79 THRB (0.70) TAAR1MAOBKDM4EALDH1A1HTR1A

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-118019750-A Drug delivery system for local delivery of therapeutic agents and uses thereof 上海椿安生物医药科技有限公司 2024-05-10 CN disclosed