SCHEMBL9498049

SCHEMBL9498049

CC(C)C(C)c1ccc2c(c1)C(=O)c1ccccc1C2=O

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ELANE P08246 2/20 0.53
NPC1 O15118 8/20 0.48
RAB9A P51151 8/20 0.48
SMN1; SMN2 Q16637 8/20 0.48
ALDH1A1 P00352 6/20 0.48
MAPK1 P28482 5/20 0.48
LMNA P02545 4/20 0.48
MAPT P10636 4/20 0.48
L3MBTL1 Q9Y468 3/20 0.48
CASP3 P42574 3/20 0.48
SENP7 Q9BQF6 3/20 0.48
SENP6 Q9GZR1 3/20 0.48
PLA2G1B P04054 3/20 0.48
ATG4B Q9Y4P1 3/20 0.48
SENP8 Q96LD8 2/20 0.48
NFKB1 P19838 1/20 0.48
NFKB2 Q00653 1/20 0.48
RELA Q04206 1/20 0.48
CYP3A4 P08684 2/20 0.48
TSHR P16473 2/20 0.48

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
SCHEMBL29721579 1.00 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL188872 0.83 ELANE (0.57) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL10054911 0.82 ELANE (0.52) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL13310639 0.82 ELANE (0.55) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL31107058 0.82 ELANE (0.55) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL18138411 0.82 ELANE (0.55) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17710508 0.80 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2398331 0.80 BCL2 (0.57) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL2399978 0.80 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL17710485 0.80 ELANE (0.53) ELANENPC1RAB9ASMN1; SMN2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024125974-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION BY USING ALKYL-CYCLOHEXANE CARBONITRILE SOLVENTS SOLVAY SA (BE) 2024-06-20 WO claimed
WO-2024120808-A1 NOVEL MIXTURE OF CYCLOHEXANE CARBONITRILE ISOMERS SOLVAY SA (BE) 2024-06-13 WO claimed
WO-2024125974-A1 PROCESS FOR MANUFACTURING AN AQUEOUS HYDROGEN PEROXIDE SOLUTION BY USING ALKYL-CYCLOHEXANE CARBONITRILE SOLVENTS SOLVAY SA (BE) 2024-06-20 WO disclosed
WO-2024120808-A1 NOVEL MIXTURE OF CYCLOHEXANE CARBONITRILE ISOMERS SOLVAY SA (BE) 2024-06-13 WO disclosed
WO-2023102759-A1 A COMPOSITION COMPRISING 2-AMYLENYL-ANTHRAQUINONES, PREPARATION METHOD AND ITS USE THEREOF SOLVAY SA (BE) 2023-06-15 WO disclosed
EP-0348464-B1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1993-03-31 EP disclosed
US-5107004-A 2-NEOPENTYLANTHRAQUINONE, PROCESSES FOR ITS PREPARATION AND METHODS FOR ITS USE BASF AKTIENGESELLSCHAFT (DE) 1992-04-21 US disclosed
EP-0348464-A1 2-NEOPENTYLANTHRAQUINONE BASF Aktiengesellschaft (DE) 1990-01-03 EP disclosed