SCHEMBL9065024

SCHEMBL9065024

CCCOC(=O)C1=C(Nc2ccccc2)CC(C(=O)OCCC)C(Nc2ccccc2)C1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.40
▸ ACHE P22303 7/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ HPGD P15428 2/20 0.38
▸ GAA P10253 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ BCHE P06276 1/20 0.37
▸ MAPT P10636 4/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ THRB P10828 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ CHRM2 P08172 1/20 0.35
▸ CHRM4 P08173 1/20 0.35
▸ CHRM5 P08912 1/20 0.35
▸ CHRM1 P11229 1/20 0.35
▸ CHRM3 P20309 1/20 0.35
▸ NPEPPS P55786 1/20 0.35
▸ MAPK1 P28482 1/20 0.34
▸ HSD17B10 Q99714 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
SCHEMBL10393718 0.94 TSHR (0.40) LMNAACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL3911811 0.89 ACHE (0.47) LMNAACHEHPGDGAABCHE
SCHEMBL10394075 0.84 ALDH1A1 (0.39) LMNAACHEALDH1A1HPGDSMN1; SMN2
SCHEMBL3909908 0.82 ACHE (0.44) ACHEALDH1A1HPGDMAPTNPEPPS
SCHEMBL9327996 0.76 LMNA (0.53) LMNAACHEALDH1A1HPGDGAA
SCHEMBL3905199 0.76 SLC6A2 (0.41) LMNAACHEHPGDSMN1; SMN2MAPT
SCHEMBL3900452 0.71 ACHE (0.45) LMNAACHEALDH1A1HPGDGAA
SCHEMBL3895790 0.70 ACHE (0.43) ACHEHPGDSMN1; SMN2MEN1KMT2A
SCHEMBL3899768 0.70 ACHE (0.43) ACHEALDH1A1HPGDGAASMN1; SMN2
SCHEMBL28825748 0.69 HPGD (0.41) LMNAACHEALDH1A1HPGDGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0536083-B1 Process for the synthesis of dialkyl succinylsuccinate esters and their conversion to dialkyl 2,5-diarylamino-3,6-dihydroterephthalate esters CIBA GEIGY AG (CH) 1996-03-06 — — EP disclosed
EP-0536083-A1 Process for the synthesis of dialkyl succinylsuccinate esters and their conversion to dialkyl 2,5-diarylamino-3,6-dihydroterephthalate esters CIBA-GEIGY AG (CH) 1993-04-07 — — EP disclosed
US-4956464-A Cyclization, dehydrogenation in the vapor phase or solid phase in the presence of an oxidizer BASF AKTIENGESELLSCHAFT (DE) 1990-09-11 — — US disclosed
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