SCHEMBL6384307

SCHEMBL6384307

CCCCC(C=O)OC(C)=O

nearest known ligand 0.44

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CTSK P43235 7/20 0.44
TSHR P16473 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ALDH1A1 P00352 1/20 0.39
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
MAPK1 P28482 1/20 0.36
PRKCA P17252 2/20 0.36
CTSL P07711 1/20 0.35
CTSB P07858 1/20 0.35
CTSH P09668 1/20 0.35

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
SCHEMBL6382812 0.94 FAAH (0.40) CTSKCA1PRKCA
SCHEMBL11745037 0.92 FAAH (0.42) PRKCA
SCHEMBL11582432 0.92 FAAH (0.42) PRKCA
SCHEMBL11745000 0.92 FAAH (0.42) PRKCA
SCHEMBL6379379 0.88 CTSK (0.39) CTSKTSHRSMN1; SMN2ALDH1A1
SCHEMBL28506993 0.82 CTSK (0.42) CTSKTSHRSMN1; SMN2CA2CA1
SCHEMBL10904195 0.82 ALDH1A1 (0.42) CTSKTSHRALDH1A1CA2CA1
SCHEMBL27545815 0.82 TSHR (0.41) CTSKTSHRALDH1A1CA2CA1
SCHEMBL29275508 0.81 GALR3 (0.37) CTSKALDH1A1CA2CA1MAPK1
SCHEMBL18767015 0.79 CYP1A2 (0.44) TSHRALDH1A1PRKCA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906108-B1 ENDOTHELIN ANTAGONISTS FOR TREATING HEART FAILURE BANYU PHARMA CO LTD (JP) 2005-06-15 EP disclosed
US-6380195-B1 INCLUDING (METHYLENEDIOXYPHENYL)CYCLOPENTENO(1,2-B)PYRIDINE DERIVATIVES BANYU PHARMACEUTICAL CO., LTD. (JP) 2002-04-30 US disclosed
EP-0714897-B1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMA CO LTD (JP) 2001-02-14 EP disclosed
EP-0906108-A4 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMA CO LTD (JP) 2000-12-06 EP disclosed
US-6087360-A TREATING PATIENTS WITH ENDOTHELIN RELATED DISORDERS BANYU PHARMACEUTICAL CO., LTD. (JP) 2000-07-11 US disclosed
EP-0906108-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1999-04-07 EP disclosed
US-5834483-A Method of treating heart failure with endothelin antagonists MERCK & CO., INC. (US) 1998-11-10 US disclosed
US-5714479-A TREATMENT OF HYPERTENSION, ACUTE RENAL FAILURE, ANGINA PECTORIS, ARTERIOSCLEROSIS, ASTHMA, GASTRIC ULCER AND SIMILAR AILMENTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1998-02-03 US disclosed
WO-1997037665-A1 METHOD OF TREATING HEART FAILURE WITH ENDOTHELIN ANTAGONISTS BANYU PHARMACEUTICAL CO., LTD. (JP) 1997-10-16 WO disclosed
EP-0714897-A1 FUSED HETEROAROMATIC CYCLOPENTENE DERIVATIVE HAVING ENDOTHELIN-ANTAGONIST ACTIVITY BANYU PHARMACEUTICAL CO., LTD. (JP) 1996-06-05 EP disclosed