SCHEMBL22638034

SCHEMBL22638034

CCCCC(Cl)OC(=O)CN

nearest known ligand 0.44

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CA2 P00918 4/20 0.38
CA1 P00915 3/20 0.38
DPP7 Q9UHL4 2/20 0.37
LMNA P02545 2/20 0.36
TDP1 Q9NUW8 2/20 0.36
CYP3A4 P08684 1/20 0.36
TSHR P16473 1/20 0.36
ATM Q13315 1/20 0.36
FAAH O00519 1/20 0.36
MAPK1 P28482 2/20 0.35
HTR2C P28335 1/20 0.35
SLC1A3 P43003 1/20 0.34
SLC1A2 P43004 1/20 0.34
SLC1A1 P43005 1/20 0.34
MAPT P10636 1/20 0.34
RRM1 P23921 1/20 0.34
ALDH1A1 P00352 1/20 0.33
SLC15A1 P46059 1/20 0.33

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
SCHEMBL4489685 0.88 HTR2C (0.33) DPP7LMNATDP1CYP3A4TSHR
SCHEMBL28451893 0.84 HTR2C (0.51) CA2CA1DPP7LMNATDP1
SCHEMBL27541779 0.84 LMNA (0.47) CA2CA1LMNATDP1CYP3A4
SCHEMBL27324758 0.84 NAAA (0.41) CA2CA1DPP7LMNATDP1
SCHEMBL27576843 0.84 FAAH (0.45) CA2CA1DPP7LMNATDP1
Phthalic Acid SCHEMBL28436486 0.84 ALDH1A1 (0.50) CA2LMNATDP1CYP3A4TSHR
SCHEMBL29229775 0.84 CYP1A2 (0.47) CA2CA1DPP7LMNATDP1
SCHEMBL27351536 0.82 LMNA (0.46) CA2CA1LMNATDP1CYP3A4
SCHEMBL27534774 0.82 LMNA (0.55) LMNATDP1CYP3A4TSHRATM
SCHEMBL28175189 0.82 FAAH (0.44) CA2CA1DPP7LMNATDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2020227592-A1 THIOSEMICARBAZATES AND USES THEREOF THE FEINSTEIN INSTITUTES FOR MEDICAL RESEARCH (US) 2020-11-12 WO disclosed
CN-104607163-B A kind of micro- chiral adjusting cellulose chromatography stationary phase, preparation method and applications 北京迪马欧泰科技发展中心 2018-05-15 CN disclosed
CN-104607163-A Micro-chiral adjusting cellulose chromatography stationary phase, as well as preparation method and application thereof BEIJING SCIENCE & TECH 2015-05-13 CN disclosed
CN-1321969-C Process for preparing cis-halochrysanthemic acid SHANGHAI INST ORGANIC CHEM (CN) 2007-06-20 CN disclosed
CN-1390825-A Process for preparing cis-halochrysanthemic acid SHANGHAI INST ORGANIC CHEM (CN) 2003-01-15 CN disclosed