SCHEMBL9327996

SCHEMBL9327996

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.53
▸ ALDH1A1 P00352 6/20 0.50
▸ GAA P10253 1/20 0.48
▸ SMN1; SMN2 Q16637 1/20 0.48
▸ HPGD P15428 4/20 0.45
▸ MAPT P10636 6/20 0.45
▸ MEN1 O00255 1/20 0.45
▸ THRB P10828 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ MAPK1 P28482 1/20 0.43
▸ HSD17B10 Q99714 1/20 0.43
▸ CHRM1 P11229 2/20 0.43
▸ CHRM2 P08172 1/20 0.43
▸ CHRM4 P08173 1/20 0.43
▸ CHRM5 P08912 1/20 0.43
▸ CHRM3 P20309 1/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.41
▸ TSHR P16473 2/20 0.41
▸ TDP1 Q9NUW8 2/20 0.41
▸ ESR1 P03372 1/20 0.41

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
SCHEMBL9326928 0.92 TSHR (0.53) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3911808 0.88 MAPT (0.52) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL3909913 0.84 MAPT (0.49) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL9328298 0.81 ALDH1A1 (0.51) LMNAALDH1A1SMN1; SMN2HPGDMAPT
SCHEMBL3909905 0.81 MAPT (0.53) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL7621011 0.77 MAPT (0.49) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL3905204 0.77 NPC1 (0.47) LMNAGAASMN1; SMN2MAPTMEN1
SCHEMBL9065024 0.76 LMNA (0.40) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL9065017 0.76 MAPT (0.51) LMNAALDH1A1GAASMN1; SMN2HPGD
SCHEMBL6569817 0.75 MAPT (0.67) LMNAALDH1A1GAASMN1; SMN2MAPT

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-0313965-B1 Process for the manufacture of dihydroquinacridones, of quinacridones and of quinacridone quinones BASF AG (DE) 1994-03-16 — — 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
EP-0313965-A2 Process for the manufacture of dihydroquinacridones, of quinacridones and of quinacridone quinones BASF Aktiengesellschaft (DE) 1989-05-03 — — EP disclosed
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