SCHEMBL7537331

SCHEMBL7537331

NC(=O)n1nnc2cc(C(=O)O)ccc21

nearest known ligand 0.62

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
HCAR3 P49019 19/20 0.62
HPGD P15428 1/20 0.57
HCAR2 Q8TDS4 1/20 0.57
RXRA P19793 1/20 0.44
PPARG P37231 1/20 0.44

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
SCHEMBL7230218 0.87 HCAR3 (0.66) HCAR3HPGDHCAR2RXRAPPARG
SCHEMBL6223760 0.82 KDM4E (0.48) HCAR3HPGDHCAR2
SCHEMBL24019555 0.79 KCNMA1 (0.59) HCAR3
SCHEMBL5921944 0.78 HCAR3 (0.68) HCAR3HPGDHCAR2
SCHEMBL18033712 0.77 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL18033711 0.77 HCAR3 (0.60) HCAR3HPGDHCAR2
SCHEMBL599138 0.77 HCAR3 (1.00) HCAR3HPGDHCAR2
SCHEMBL8424378 0.77 HCAR3 (0.66) HCAR3HPGDHCAR2RXRAPPARG
SCHEMBL18033709 0.76 HCAR3 (0.64) HCAR3HPGDHCAR2
SCHEMBL443991 0.74 GAA (0.64) HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5936054-A ALKENYL-FUNCTIONAL POLYSILOXANE, SILANE-HYDRIDE FUNCTIONAL CROSSLINKER, BENZOTRIAZOLE-5-CARBOXYLIC ESTER OR AMIDE DERIVATIVE AND HYDROSILATION CATALYST WACKER-CHEMIE GMBH (DE) 1999-08-10 US claimed
EP-2125955-B1 ADDITION-REACTION-CURABLE SILICONE RUBBER COMPOSITION AND A MOLDED ARTICLE THEREFROM DOW CORNING TORAY CO LTD (JP) 2015-10-21 EP disclosed
CN-1735592-A Hydroxyethylamine derivatives for the treatment of alzheimer's disease GLAXO GROUP LTD (GB) 2006-02-15 CN disclosed
EP-1202731-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY LLC (US) 2002-05-08 EP disclosed
EP-1144385-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2001005390-A2 METHOD FOR TREATING CHRONIC PAIN USING MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2001-01-25 WO disclosed
WO-2000042022-A1 BENZOHETEROCYCLES AND THEIR USE AS MEK INHIBITORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed
US-5936054-A ALKENYL-FUNCTIONAL POLYSILOXANE, SILANE-HYDRIDE FUNCTIONAL CROSSLINKER, BENZOTRIAZOLE-5-CARBOXYLIC ESTER OR AMIDE DERIVATIVE AND HYDROSILATION CATALYST WACKER-CHEMIE GMBH (DE) 1999-08-10 US disclosed