SCHEMBL4249926

SCHEMBL4249926

COc1cccc(CNC(Cl)C(C)O)c1

nearest known ligand 0.52

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CASR P41180 4/20 0.52
ALDH1A1 P00352 4/20 0.52
HTT P42858 1/20 0.52
SMN1; SMN2 Q16637 1/20 0.52
TAAR1 Q96RJ0 2/20 0.50
MMP13 P45452 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
CHRM2 P08172 1/20 0.49
LMNA P02545 1/20 0.48
IDO1 P14902 1/20 0.47
AGXT P21549 1/20 0.47
ADRB2 P07550 2/20 0.47

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
SCHEMBL9416033 0.84 CASR (0.57) CASRALDH1A1HTTSMN1; SMN2TAAR1
SCHEMBL2954251 0.81 CASR (0.60) CASRALDH1A1HTTSMN1; SMN2TAAR1
SCHEMBL3961688 0.78 MEN1 (0.57) ALDH1A1HTTMEN1KMT2ALMNA
SCHEMBL5433128 0.78 CASR (0.50) CASRALDH1A1HTTSMN1; SMN2TAAR1
SCHEMBL3966026 0.77 SIGMAR1 (0.53) CASRALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL3099211 0.77 SIGMAR1 (0.53) CASRALDH1A1HTTSMN1; SMN2MEN1
SCHEMBL5270682 0.76 MEN1 (0.75) CASRALDH1A1HTTMEN1KMT2A
SCHEMBL12154819 0.76 MEN1 (0.75) CASRALDH1A1HTTMEN1KMT2A
SCHEMBL12472188 0.76 CASR (0.55) CASRALDH1A1HTTSMN1; SMN2TAAR1
SCHEMBL27614960 0.76 DNM1 (0.60) ALDH1A1HTTSMN1; SMN2TAAR1MMP13

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
EP-1784407-A4 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RES INST CHEM TECH (KR) 2009-02-11 EP disclosed
EP-1784407-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF Korea Research Institute of Chemical Technology (KR) 2007-05-16 EP disclosed
WO-2006025634-A1 2-ARYLMETHYLAZETIDINE CARBAPENEM DERIVATIVES AND PREPARATION THEREOF KOREA RESEARCH INSTITUTE OF CHEMICAL TECHNOLOGY (KR) 2006-03-09 WO disclosed