SCHEMBL12928430

SCHEMBL12928430

CCC1(CC)c2ccccc2-c2cc3c(cc21)-c1cc2c(cc1C3(CC)CC)C(=O)c1ccccc1C2=O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 6/20 0.46
▸ RAB9A P51151 6/20 0.46
▸ SMN1; SMN2 Q16637 5/20 0.46
▸ ALDH1A1 P00352 5/20 0.46
▸ MAPK1 P28482 3/20 0.46
▸ LMNA P02545 3/20 0.46
▸ MAPT P10636 2/20 0.46
▸ L3MBTL1 Q9Y468 2/20 0.46
▸ KCNQ2 O43526 6/20 0.42
▸ CYP3A4 P08684 4/20 0.42
▸ TSHR P16473 3/20 0.42
▸ ELANE P08246 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ ALOX15 P16050 2/20 0.41
▸ CYP1A2 P05177 2/20 0.41
▸ CYP2C9 P11712 2/20 0.41
▸ CASP3 P42574 2/20 0.41
▸ SENP8 Q96LD8 2/20 0.41
▸ SENP7 Q9BQF6 2/20 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
SCHEMBL1271141 0.88 APEX1 (0.41) SMN1; SMN2LMNAMAPTKCNQ2CYP3A4
SCHEMBL29546311 0.82 KCNQ2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL23567578 0.82 KCNQ2 (0.55) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL29484836 0.80 APEX1 (0.47) SMN1; SMN2LMNAMAPTKCNQ2CYP3A4
SCHEMBL1394829 0.80 APEX1 (0.47) SMN1; SMN2LMNAMAPTKCNQ2CYP3A4
SCHEMBL12175970 0.78 PDK2 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2381810 0.77 ALDH1A1 (0.46) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL4239178 0.77 SMN1; SMN2 (0.48) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL12095504 0.76 PDK2 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPK1
SCHEMBL2129264 0.75 PDK2 (0.44) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011016648-A1 NOVEL ORGANIC ELECTROLUMINESCENT COMPOUNDS AND ORGANIC ELECTROLUMINESCENT DEVICE USING THE SAME ROHM AND HAAS ELECTRONIC MATERIALS KOREA LTD. (KR) 2011-02-10 — — WO disclosed
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