SCHEMBL9168593

SCHEMBL9168593

CCOC(=O)C1=C(CCl)NC(C)=C(C(=O)OC)[C@H]1C1CCCCC1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.43
LMNA P02545 3/20 0.43
TP53 P04637 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ADORA3 P0DMS8 6/20 0.43
KDM4E B2RXH2 5/20 0.41
CYP2C9 P11712 3/20 0.41
HSD17B10 Q99714 3/20 0.41
MEN1 O00255 3/20 0.41
KMT2A Q03164 3/20 0.41
NPSR1 Q6W5P4 3/20 0.41
TBXA2R P21731 3/20 0.41
ADRA1A P35348 3/20 0.41
SLC6A3 Q01959 3/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C19 P33261 2/20 0.41
HIF1A Q16665 2/20 0.41
ABCB11 O95342 2/20 0.41
ABCB1 P08183 2/20 0.41

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
SCHEMBL9168598 1.00 TSHR (0.43) TSHRLMNATP53SMN1; SMN2ADORA3
SCHEMBL9168592 1.00 TSHR (0.43) TSHRLMNATP53SMN1; SMN2ADORA3
SCHEMBL7159469 0.83 KDM4E (0.57) TSHRLMNATP53SMN1; SMN2KDM4E
SCHEMBL9203542 0.82 TSHR (0.39) TSHRLMNATP53SMN1; SMN2ADORA3
SCHEMBL11838136 0.82 KDM4E (0.59) TSHRLMNATP53SMN1; SMN2KDM4E
Hydrochloric Acid SCHEMBL9215675 0.82 TSHR (0.39) TSHRLMNATP53SMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9216303 0.82 TSHR (0.39) TSHRLMNATP53SMN1; SMN2ADORA3
SCHEMBL9203548 0.82 ADORA3 (0.40) TSHRLMNATP53SMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9215684 0.81 ADORA3 (0.39) TSHRLMNATP53SMN1; SMN2ADORA3
Hydrochloric Acid SCHEMBL9216313 0.81 ADORA3 (0.39) TSHRLMNATP53SMN1; SMN2ADORA3

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
US-5464844-A [3H,7H]thiazole[3,4-a]pyridines having antiasthmatic and antiinflammatory activities on the respiratory tract BOEHRINGER MANNHEIM ITALIA, S.P.A. (IT) 1995-11-07 US disclosed