SCHEMBL7866645

SCHEMBL7866645

OCCCC(CCO)COCc1ccccc1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CA1 P00915 4/20 0.47
CA2 P00918 2/20 0.47
CA7 P43166 2/20 0.47
CA9 Q16790 2/20 0.47
TSHR P16473 1/20 0.45
LTA4H P09960 1/20 0.45
EPHX2 P34913 1/20 0.45
TACR1 P25103 2/20 0.42
SLC1A1 P43005 1/20 0.41
KDM4E B2RXH2 1/20 0.40
POLB P06746 1/20 0.40
FOLH1 Q04609 1/20 0.40
MAPK1 P28482 1/20 0.39
KMT2A Q03164 1/20 0.39
HTT P42858 1/20 0.38

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
SCHEMBL18990552 0.93 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL31647529 0.90 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL10507710 0.90 CA1 (0.53) CA1CA2CA7CA9TSHR
SCHEMBL10052085 0.86 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL10076979 0.83 CA1 (0.50) CA1CA2CA7CA9TSHR
SCHEMBL28426458 0.83 CA1 (0.45) CA1CA2CA7CA9TSHR
SCHEMBL27410527 0.83 CA1 (0.44) CA1CA2CA7CA9TSHR
SCHEMBL11345220 0.81 CA1 (0.62) CA1CA2CA7CA9TSHR
SCHEMBL27694647 0.80 CA1 (0.47) CA1CA2CA7CA9TSHR
SCHEMBL25021737 0.79 TSHR (0.48) CA1CA2CA7CA9TSHR

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
EP-0657458-B1 Protein kinase C inhibitors LILLY CO ELI (US) 2001-08-22 EP disclosed
US-6057440-A AMINATION AND DEETHERIFICATION OF BISINDOLE COMPOUNDS ELI LILLY AND COMPANY (US) 2000-05-02 US disclosed
US-5843935-A Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1998-12-01 US disclosed
US-5821365-A COMPOUNDS AS ENZYME INHIBITORS FOR KINASES FORMED BY REACTION OF AMINE WITH ANHYDRIDE GROUP TO FORM INDOLMALEIMIDE MACROCYCLES ELI LILLY AND COMPANY (US) 1998-10-13 US disclosed
US-5780461-A ANTITUMOR AGENTS ELI LILLY AND COMPANY (US) 1998-07-14 US disclosed
US-5739322-A INHIBITORS OF PROTEIN KINASE C IN MAMMALS ELI LILLY AND COMPANY (US) 1998-04-14 US disclosed
US-5719175-A ALZHEIMER'S DISEASE ELI LILLY AND COMPANY (US) 1998-02-17 US disclosed
US-5698578-A BIS-INDOLEMALEIMIDE MACROCYCLE DERIVATIVES; TREATMENT OF DIABETES ELI LILLY AND COMPANY (US) 1997-12-16 US disclosed
US-5696108-A ADMINISERING TO THE MAMMAL BIS-INDOLEMALEIMIDE MACROCYCLIC DERIVATIVE AS ANTIINFLAMMATORY AGENT ELI LILLY AND COMPANY (US) 1997-12-09 US disclosed
US-5674862-A USING A BIS(INDOLEMALEIMIDE) MACROCYCLE DERIVATIVE ELI LILLY AND COMPANY (US) 1997-10-07 US disclosed
US-5624949-A Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1997-04-29 US disclosed
US-5621098-A ALKYLATION OF THE CORRESPONDING BISINDOLE COMPOUND; CYCLIZATION; PROTEIN C KINEASE INHIBITOR ELI LILLY AND COMPANY (US) 1997-04-15 US disclosed
US-5552396-A BIS-INDOLEMALEIMIDE MACROCYCLIC DERIVATIVES, ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
EP-0657458-A1 Protein kinase C inhibitors ELI LILLY AND COMPANY (US) 1995-06-14 EP disclosed