SCHEMBL7862815

SCHEMBL7862815

COc1ccc(CC=C2CC[CH]CN2)cc1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.44
TP53 P04637 1/20 0.44
CYP3A4 P08684 1/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
ALOX12 P18054 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
SIGMAR1 Q99720 1/20 0.37
APLNR P35414 1/20 0.36
IDO1 P14902 2/20 0.36
HRH3 Q9Y5N1 1/20 0.36
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
AGXT P21549 1/20 0.34
LTA4H P09960 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
GAA P10253 1/20 0.34

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
SCHEMBL7865394 0.79 ALDH1A1 (0.46) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL1930129 0.68 ALDH1A1 (0.61) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL244069 0.65 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL11437812 0.65 ALDH1A1 (0.68) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL2123173 0.64 LTA4H (0.57) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL190915 0.64 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL3933929 0.64 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL26344820 0.64 ALDH1A1 (0.65) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL28771743 0.63 ALDH1A1 (0.59) ALDH1A1TP53CYP3A4ALOX15TSHR
SCHEMBL3168388 0.63 RELA (0.60) ALDH1A1TP53CYP3A4ALOX15TSHR

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
WO-2001002417-A1 NUCLEOTIDE MONOMER CONTAINING SIX-MEMBERED AZARSUGAR AND ANTISENSE OLIGOMERS THEREOF DONGBU HANNONG CHEMICAL CO., LTD. (KR) 2001-01-11 WO disclosed