SCHEMBL28021056

SCHEMBL28021056

[CH]=CCc1ccc(Cl)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 5/20 0.46
TAAR1 Q96RJ0 2/20 0.42
LMNA P02545 1/20 0.42
CYP2A6 P11509 1/20 0.42
AGXT P21549 2/20 0.41
SLC6A4 P31645 2/20 0.41
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 2/20 0.39
RAB9A P51151 2/20 0.39
HTT P42858 1/20 0.39
ATM Q13315 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
SLC6A2 P23975 2/20 0.38
SLC6A3 Q01959 2/20 0.38
HTR2A P28223 1/20 0.38
HRH1 P35367 1/20 0.38
HTR2B P41595 1/20 0.38
CHRNA4 P43681 1/20 0.38
MEN1 O00255 2/20 0.38

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
SCHEMBL453913 0.76 IDO1 (0.48) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL5506050 0.76 IDO1 (0.48) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL28879990 0.74 IDO1 (0.46) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL1610984 0.74 TP53 (0.43) IDO1TAAR1LMNACYP2A6ALDH1A1
SCHEMBL2123502 0.74 IDO1 (0.46) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL23358983 0.74 IDO1 (0.46) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL1427989 0.74 ALDH1A1 (0.52) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL11336342 0.74 TAAR1 (0.48) IDO1TAAR1LMNACYP2A6AGXT
SCHEMBL3298110 0.74 TRPA1 (0.47) IDO1TAAR1LMNAAGXTNPC1
SCHEMBL13268700 0.74 ESR1 (0.50) IDO1TAAR1LMNAALDH1A1NPC1

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-104844671-A 11-O-aromatic aralkyl carbamate clarithromycin derivatives as well as preparation method and application thereof UNIV SHANDONG 2015-08-19 CN claimed
CN-110746887-A Circuit board structure and composition for forming insulating substrate 佳胜科技股份有限公司 2020-02-04 CN disclosed
CN-104844671-A 11-O-aromatic aralkyl carbamate clarithromycin derivatives as well as preparation method and application thereof UNIV SHANDONG 2015-08-19 CN disclosed