SCHEMBL9827992

SCHEMBL9827992

CCOC(=O)c1cc[c]cc1OC

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.49
HSD17B2 P37059 1/20 0.45
MAPT P10636 6/20 0.44
LMNA P02545 5/20 0.44
CDC25B P30305 1/20 0.44
DPP4 P27487 3/20 0.43
ALDH1A1 P00352 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 2/20 0.42
ERN1 O75460 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
CA12 O43570 2/20 0.41
CA1 P00915 2/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
CA14 Q9ULX7 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40

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
SCHEMBL5178794 0.87 TSHR (0.49) TSHRLMNADPP4ALDH1A1HSD17B10
SCHEMBL1809516 0.87 TSHR (0.49) TSHRHSD17B2MAPTLMNACDC25B
SCHEMBL129924 0.83 TSHR (0.60) TSHRMAPTLMNACDC25BALDH1A1
SCHEMBL182737 0.83 KDM4E (0.44) TSHRMAPTLMNAALDH1A1HSD17B10
SCHEMBL22042157 0.82 TSHR (0.44) TSHRALDH1A1HSD17B10CA12CA1
SCHEMBL29258466 0.81 TSHR (0.53) TSHRMAPTLMNACDC25BALDH1A1
SCHEMBL7499134 0.81 TSHR (0.53) TSHRLMNACDC25BALDH1A1HSD17B10
SCHEMBL1205732 0.80 CA12 (0.56) TSHRHSD17B2MAPTALDH1A1HSD17B10
SCHEMBL7355446 0.79 HTT (0.46) MAPTLMNAALDH1A1HSD17B10GAA
SCHEMBL27897937 0.79 TSHR (0.50) TSHRLMNAALDH1A1HSD17B10TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0150892-B1 SUBSTITUTED ALKYLIDENE IMIDAZOLES G.D. Searle & Co. (US) 1991-04-24 EP disclosed
US-4837333-A SELECTIVE INHIBITOR OF THROMBOXANE SYNTHETASE ENZYME G. D. SEARLE & CO. (US) 1989-06-06 US disclosed
EP-0150892-A2 Substituted alkylidene imidazoles G.D. Searle & Co. (US) 1985-08-07 EP disclosed
US-3953604-A INHALATION, ANTI-ASTHMA MILES LABORATORIES, INC. (US) 1976-04-27 US disclosed