SCHEMBL8240642

SCHEMBL8240642

C=C(O)CCCC(=C)NCCOC

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.40
DDAH1 O94760 1/20 0.34
ALDH1A1 P00352 6/20 0.33
HPGD P15428 5/20 0.33
GAA P10253 2/20 0.33
CNR1 P21554 1/20 0.33
HTT P42858 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MAPK1 P28482 1/20 0.32
KDM4E B2RXH2 2/20 0.31
LMNA P02545 1/20 0.31
ATM Q13315 1/20 0.31
HSD17B10 Q99714 1/20 0.31
MAPT P10636 1/20 0.31
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30

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
SCHEMBL8908271 0.74
SCHEMBL8243435 0.73 DDAH1 (0.34) DDAH1ALDH1A1HPGDGAASMN1; SMN2
SCHEMBL12145396 0.68
SCHEMBL13706923 0.68 TSHR (0.36) TSHR
SCHEMBL28065431 0.65 KDM4E (0.44) TSHRALDH1A1HPGDGAASMN1; SMN2
SCHEMBL15830518 0.65 ALDH1A1 (0.50) TSHRALDH1A1GAASMN1; SMN2KDM4E
SCHEMBL16589858 0.65 TSHR (0.69) TSHRALDH1A1HPGDCNR1HTT
SCHEMBL14209341 0.65 PAOX (0.42) TSHRDDAH1ALDH1A1LMNAMEN1
SCHEMBL14705125 0.65
SCHEMBL14074126 0.64 TSHR (0.52) TSHRALDH1A1HTTSMN1; SMN2MAPK1

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-2007076379-A2 4,7-DIHYDROTHIENO[2,3-B]PYRIDINE COMPOUNDS AND PHARMACEUTICAL COMPOSITIONS GILEAD COLORADO, INC. (US) 2007-07-05 WO disclosed