SCHEMBL7053553

SCHEMBL7053553

Cc1ccc2c(c1)c(CC(=O)O)cn2Cc1ccc(Cl)cc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CACNB4 O00305 5/20 0.62
CACNA1A O00555 5/20 0.62
CACNA1G O43497 5/20 0.62
CACNG3 O60359 5/20 0.62
CACNA1F O60840 5/20 0.62
CACNA1H O95180 5/20 0.62
CACNB3 P54284 5/20 0.62
CACNA2D1 P54289 5/20 0.62
CACNG7 P62955 5/20 0.62
CACNA1B Q00975 5/20 0.62
CACNA1D Q01668 5/20 0.62
CACNB1 Q02641 5/20 0.62
CACNG1 Q06432 5/20 0.62
CACNB2 Q08289 5/20 0.62
CACNA1S Q13698 5/20 0.62
CACNA1C Q13936 5/20 0.62
CACNA1E Q15878 5/20 0.62
CACNA2D4 Q7Z3S7 5/20 0.62
CACNA2D3 Q8IZS8 5/20 0.62
CACNG8 Q8WXS5 5/20 0.62

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
SCHEMBL20769719 0.90 ALDH1A1 (0.65) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL7696757 0.84 PLA2G2A (0.69) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769700 0.83 LMNA (0.75) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL7698481 0.82 LMNA (0.77) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769685 0.80 ALDH1A1 (0.60) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769743 0.80 LMNA (0.82) CACNB4CACNA1ACACNA1GCACNG3CACNA1F
SCHEMBL20769664 0.80 LMNA (0.57) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL20769677 0.79 LMNA (0.56) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL2008743 0.79 PLA2G2A (0.70) ALDH1A1LMNAPPARDPPARGPPARA
SCHEMBL18568331 0.78 ICMT (0.60) CACNB4CACNA1ACACNA1GCACNG3CACNA1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0772592-B1 1H-INDOLE-1-FUNCTIONAL sPLA 2 INHIBITORS LILLY CO ELI (US) 2003-05-02 EP disclosed
US-6252084-B1 THERAPY FOR SEPSIS SHOCK ELI LILLY AND COMPANY 2001-06-26 US disclosed
EP-0620215-B1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors LILLY CO ELI (US) 1999-08-18 EP disclosed
EP-0772592-A4 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS LILLY CO ELI (US) 1998-07-08 EP disclosed
US-5684034-A INHIBITORS OF HUMAN NON-PANCREATIC SECRETORY PHOSPHOLIPASE A2, TREATMENT OF SEPTIC SHOCK, TRAUMA, RESPIRATORY DISORDERS, RHEUMATIC ARTHRITIS, INHIBITORS OF ARACHIDONIC ACID RELEASE ELI LILLY AND COMPANY (US) 1997-11-04 US disclosed
US-5641800-A ALLEVIATE EFFECT OF SEPTIC SHOCK, ADULT RESPIRATORY DISTRESS SYNDROME, PANCREATITIS, TRAUMA, BRONCHIAL ASTHMA, ALLERGIC RHINITIS, AND RHEUMATOID ARTHRITIS ELI LILLY AND COMPANY (US) 1997-06-24 US disclosed
EP-0772592-A1 1H-INDOLE-1-FUNCTIONAL sPLA 2? INHIBITORS ELI LILLY AND COMPANY (US) 1997-05-14 EP disclosed
WO-1996003376-A1 1H-INDOLE-1-FUNCTIONAL sPLA2 INHIBITORS ELI LILLY AND COMPANY (US) 1996-02-08 WO disclosed
EP-0620215-A1 1H-indole-3-acetamide derivatives as sPLA2 inhibitors ELI LILLY AND COMPANY (US) 1994-10-19 EP disclosed