SCHEMBL10342829

SCHEMBL10342829

CCc1ccc2c(=O)oc(=O)[nH]c2c1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ F2 P00734 1/20 0.51
▸ CFD P00746 1/20 0.51
▸ KIF11 P52732 1/20 0.51
▸ ELANE P08246 2/20 0.48
▸ MAOA P21397 10/20 0.47
▸ MAOB P27338 10/20 0.47
▸ ACHE P22303 2/20 0.44
▸ DAO P14920 1/20 0.43
▸ PTGES O14684 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39

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
SCHEMBL10343101 0.87 F2 (0.49) F2CFDKIF11ELANEMAOA
SCHEMBL10342820 0.87 MAOA (0.57) F2CFDKIF11ELANEMAOA
SCHEMBL10343133 0.84 F2 (0.46) F2CFDMAOAMAOBACHE
SCHEMBL10342828 0.83 F2 (0.47) F2CFDELANEMAOAMAOB
SCHEMBL2722206 0.80 KDM4E (0.53) F2CFDMAOAMAOBACHE
SCHEMBL7903542 0.79 NOS1 (0.61) KIF11DAO
SCHEMBL29442197 0.77 NOS1 (0.62) F2CFDKIF11ELANEMAOA
SCHEMBL3435898 0.77 NOS1 (0.62) F2CFDKIF11ELANEMAOA
SCHEMBL19304159 0.76 MAOA (0.42) F2CFDMAOAMAOBACHE
SCHEMBL9004440 0.76 NOS1 (0.61) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4728673-A BLOWING AGENT OF ISATOIC ANHYDRIDE DERIVATIVE IN PRESCENT OF NEUTRAL SALT BAYER AKTIENGESELLSCHAFT (DE) 1988-03-01 — — US claimed
EP-0234219-B1 PROCESS FOR FOANING ESTER AND/OR CARBONATE GROUPS CONTAINING THERMOPLASTIC RESINS BAYER AG (DE) 1990-04-18 — — EP disclosed
EP-0135367-B1 THERAPEUTIC AGENTS The Boots Company PLC (GB) 1988-03-16 — — EP disclosed
US-4728673-A BLOWING AGENT OF ISATOIC ANHYDRIDE DERIVATIVE IN PRESCENT OF NEUTRAL SALT BAYER AKTIENGESELLSCHAFT (DE) 1988-03-01 — — US disclosed
EP-0234219-A2 Process for foaning ester and/or carbonate groups containing thermoplastic resins BAYER AG (DE) 1987-09-02 — — EP disclosed
US-4659718-A VASODILATION THE BOOTS COMPANY PLC (GB) 1987-04-21 — — US disclosed
EP-0135367-A1 Therapeutic agents The Boots Company PLC (GB) 1985-03-27 — — EP disclosed
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