SCHEMBL9149481

SCHEMBL9149481

CC1(C)CC(=O)c2sccc2O1

nearest known ligand 0.45

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.45
KDM4E B2RXH2 6/20 0.45
MAPT P10636 1/20 0.45
GAA P10253 5/20 0.37
HPGD P15428 3/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 2/20 0.37
CASP7 P55210 1/20 0.37
MAOB P27338 10/20 0.36
SMN1; SMN2 Q16637 2/20 0.33
NPC1 O15118 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
RAB9A P51151 1/20 0.33

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
SCHEMBL5729169 0.79 MAPT (0.32) ALDH1A1KDM4EMAPT
SCHEMBL12410042 0.72 HDAC3 (0.42) KDM4EHTT
SCHEMBL12410038 0.69 KDM4E (0.36) ALDH1A1KDM4EGAAHPGDCASP1
SCHEMBL9466509 0.68 PGR (0.36) ALDH1A1KDM4EHPGDSMN1; SMN2NPC1
SCHEMBL544297 0.67 ALDH1A1 (0.60) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL19136630 0.67 PIK3CD (0.42) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL68892 0.67 MAPT (0.69) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL5729584 0.66 ALDH1A1 (0.40) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL27213311 0.66 MAPK1 (0.37) ALDH1A1KDM4EMAPTGAAHPGD
SCHEMBL27710422 0.64 ALDH1A1 (0.55) ALDH1A1KDM4EMAPTMAOBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5378713-A Vasodilators; angina pectoris ORTHO PHARMACEUTICAL CORPORATION (US) 1995-01-03 US claimed
EP-0360621-B1 Substituted thienopyrans as antihypertensive agents ORTHO PHARMA CORP (US) 1994-01-19 EP claimed
US-5030736-A Hypotensive agents, treatment of angina pectoris, vasodilators ORTHO PHARMACEUTICAL CORPORATION (US) 1991-07-09 US claimed
US-4992435-A Vasodilators ORTHO PHARMACEUTICAL CORPORATION (US) 1991-02-12 US claimed
EP-0360621-A1 Substituted thienopyrans as antihypertensive agents ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-28 EP claimed
US-5457212-A Process for the preparation of enantiomerically pure thienopyran derivatives ORTHO PHARMACEUTICAL CORPORATION (US) 1995-10-10 US disclosed
US-5378713-A Vasodilators; angina pectoris ORTHO PHARMACEUTICAL CORPORATION (US) 1995-01-03 US disclosed
US-5284857-A For treating cardiovascular disorders, angina ORTHO PHARMACEUTICAL CORPORATION (US) 1994-02-08 US disclosed
EP-0360621-B1 Substituted thienopyrans as antihypertensive agents ORTHO PHARMA CORP (US) 1994-01-19 EP disclosed
US-5260453-A Substituted thienopyrans as antihypertensive agents ORTHO PHARMACEUTICAL CORPORATION (US) 1993-11-09 US disclosed
EP-0493048-A1 The process for the preparation of enantiomerically pure thienopyran derivative ORTHO PHARMACEUTICAL CORPORATION (US) 1992-07-01 EP disclosed
US-5030736-A Hypotensive agents, treatment of angina pectoris, vasodilators ORTHO PHARMACEUTICAL CORPORATION (US) 1991-07-09 US disclosed
US-4992435-A Vasodilators ORTHO PHARMACEUTICAL CORPORATION (US) 1991-02-12 US disclosed
EP-0360621-A1 Substituted thienopyrans as antihypertensive agents ORTHO PHARMACEUTICAL CORPORATION (US) 1990-03-28 EP disclosed