SCHEMBL16673010

SCHEMBL16673010

C#CC(CC)(C(=O)O)c1ccc(C)cc1C

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.36
▸ SMN1; SMN2 Q16637 3/20 0.36
▸ MEN1 O00255 3/20 0.35
▸ KMT2A Q03164 3/20 0.35
▸ TP53 P04637 2/20 0.35
▸ LMNA P02545 2/20 0.34
▸ TSHR P16473 2/20 0.34
▸ TDP1 Q9NUW8 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ TTR P02766 1/20 0.34
▸ CYP1A2 P05177 1/20 0.34
▸ CYP2C8 P10632 1/20 0.34
▸ CHRM1 P11229 1/20 0.34
▸ ADRA1A P35348 1/20 0.34
▸ PPARG P37231 1/20 0.34
▸ HTR2B P41595 1/20 0.34
▸ PPARA Q07869 1/20 0.34
▸ SLCO1B3 Q9NPD5 1/20 0.34
▸ CISD1 Q9NZ45 1/20 0.34
▸ SLCO1B1 Q9Y6L6 1/20 0.34

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
SCHEMBL1954071 0.76 CYP2C9 (0.41) CYP2C9SMN1; SMN2MEN1KMT2ATP53
SCHEMBL16672509 0.70 CYP2C9 (0.36) CYP2C9SMN1; SMN2MEN1KMT2ATP53
SCHEMBL11668071 0.70 CYP2C9 (0.40) CYP2C9SMN1; SMN2MEN1KMT2ATP53
SCHEMBL2301124 0.70 MEN1 (0.40) SMN1; SMN2MEN1KMT2ATP53LMNA
SCHEMBL6839570 0.70 MEN1 (0.43) CYP2C9SMN1; SMN2MEN1KMT2ATP53
SCHEMBL1151512 0.69 L3MBTL1 (0.37) SMN1; SMN2MEN1KMT2ALMNATSHR
SCHEMBL6838457 0.68 CYP2C9 (0.39) CYP2C9SMN1; SMN2MEN1KMT2ATP53
SCHEMBL12525117 0.68 TP53 (0.41) SMN1; SMN2MEN1KMT2ATP53LMNA
SCHEMBL9220402 0.66 CASR (0.41) CYP2C9SMN1; SMN2MEN1KMT2ATP53
SCHEMBL6806145 0.66 MAPT (0.38) CYP2C9SMN1; SMN2MEN1KMT2ATSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2869389-B1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME MITSUBISHI CHEM CORP (JP) 2019-11-13 — — EP disclosed
US-10320030-B2 Nonaqueous electrolyte solution and nonaqueous electrolyte battery employing the same MITSUBISHI CHEMICAL CORPORATION (JP) 2019-06-11 — — US disclosed
US-20150140448-A1 NONAQUEOUS ELECTROLYTE SOLUTION AND NONAQUEOUS ELECTROLYTE BATTERY EMPLOYING THE SAME MITSUBISHI CHEMICAL CORPORATION (JP) 2015-05-21 — — US disclosed
EP-2869389-A1 NONAQUEOUS ELECTROLYTIC SOLUTION AND NONAQUEOUS ELECTROLYTIC SOLUTION CELL USING SAME Mitsubishi Chemical Corporation (JP) 2015-05-06 — — EP disclosed
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