SCHEMBL11273607

SCHEMBL11273607

O=C(O)Cc1cccc2c1OC(=O)c1ncccc1C2

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.44
CYP1A2 P05177 1/20 0.44
MAPT P10636 1/20 0.44
EGLN1 Q9GZT9 1/20 0.40
CD69 Q07108 1/20 0.36
CDC25B P30305 2/20 0.34
AKR1B1 P15121 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
DUSP3 P51452 1/20 0.34
PTPN5 P54829 1/20 0.34
PTPN11 Q06124 1/20 0.34
CTDSP1 Q9GZU7 1/20 0.34
GRIN2D O15399 1/20 0.33
GRIN3B O60391 1/20 0.33
GRIN1 Q05586 1/20 0.33
GRIN2A Q12879 1/20 0.33
GRIN2B Q13224 1/20 0.33
GRIN2C Q14957 1/20 0.33
GRIN3A Q8TCU5 1/20 0.33
ABCC4 O15439 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
SCHEMBL11281830 0.84 CD69 (0.34) KDM4ECYP1A2MAPTEGLN1CD69
SCHEMBL4051989 0.78 ALDH1A1 (0.41) KDM4EMAPTEGLN1TDP1ABCC4
SCHEMBL4054428 0.76 CDC25B (0.37) CDC25BTDP1
SCHEMBL27883628 0.75 MAOA (0.47) CD69AKR1B1TDP1DUSP3PTPN5
SCHEMBL11282810 0.74 AKR1B1 (0.34) KDM4ECYP1A2MAPTCD69AKR1B1
SCHEMBL4056294 0.72 LMNA (0.41) KDM4EMAPT
SCHEMBL10701726 0.71 PDE10A (0.43) CYP1A2MAPTTDP1
SCHEMBL30275479 0.71 GLA (0.45) CD69AKR1B1TDP1DUSP3PTPN5
SCHEMBL2197993 0.68 MAOA (0.53) CYP1A2CDC25BTDP1ABCC4PTGS1
SCHEMBL11147053 0.67 KDM4E (0.65) KDM4ECYP1A2MAPTEGLN1AKR1B1

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-4124713-A Oxopyridobenzoxepin-acetic acids and derivatives thereof useful as antiinflammatory and analgesic agents AMERICAN HOECHST CORPORATION (US) 1978-11-07 US claimed
US-4345087-A Process for preparing heteroarylbenzoxepin-acetic acids, precursors and derivatives thereof AMERICAN HOECHST CORPORATION (US) 1982-08-17 US disclosed
US-4117152-A ANALGESICS, ANTIINFLAMMATORY AGENTS AMERICAN HOECHST CORPORATION (US) 1978-09-26 US disclosed
US-4107321-A ANTIINFLAMMATORY AGENTS, ANALGESICS AMERICAN HOECHST CORPORATION (US) 1978-08-15 US disclosed
US-4107177-A CYCLIZING (CARBOXYTHIENYLOXY)BENZENEACETIC ACID WITH DEHYDRATING AGENT AMERICAN HOECHST CORPORATION (US) 1978-08-15 US disclosed
US-4101559-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-07-18 US disclosed
US-4081457-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1978-03-28 US disclosed
US-4025640-A ANTIINFLAMMATORY, ANALGESIC AMERICAN HOECHST CORPORATION (US) 1977-05-24 US disclosed