SCHEMBL10387239

SCHEMBL10387239

CC(C)(CC(=O)O)c1ccc2c(c1)C(=O)c1cc(C(C)(C)CC(=O)O)ccc1C2=O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.58
▸ RAB9A P51151 6/20 0.58
▸ SMN1; SMN2 Q16637 4/20 0.58
▸ CASP3 P42574 2/20 0.58
▸ SENP8 Q96LD8 2/20 0.58
▸ SENP7 Q9BQF6 2/20 0.58
▸ SENP6 Q9GZR1 2/20 0.58
▸ ATM Q13315 2/20 0.58
▸ LMNA P02545 2/20 0.58
▸ MAPK1 P28482 2/20 0.58
▸ ALDH1A1 P00352 4/20 0.51
▸ L3MBTL1 Q9Y468 3/20 0.51
▸ PLA2G1B P04054 1/20 0.51
▸ NFKB1 P19838 1/20 0.51
▸ NFKB2 Q00653 1/20 0.51
▸ RELA Q04206 1/20 0.51
▸ ATG4B Q9Y4P1 1/20 0.51
▸ CYP2C19 P33261 2/20 0.42
▸ HIF1A Q16665 1/20 0.42
▸ TTR P02766 1/20 0.40

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
SCHEMBL10387912 1.00 NPC1 (0.58) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387852 0.95 NPC1 (0.67) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387370 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387909 0.82 NPC1 (0.54) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387247 0.81 NPC1 (0.65) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387946 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387253 0.81 NPC1 (0.53) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10389038 0.80 NPC1 (0.55) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387793 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CASP3SENP8
SCHEMBL10387844 0.80 NPC1 (0.51) NPC1RAB9ASMN1; SMN2CASP3SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4924015-A PREPARING METALLIC COATINGS AND IMAGES CIBA-GEIGY CORPORATION (US) 1990-05-08 — — US disclosed
EP-0298034-A2 Substituted anthraquinones and their use in epoxy resins CIBA-GEIGY AG (CH) 1989-01-04 — — EP disclosed
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