SCHEMBL9497401

SCHEMBL9497401

CC1(C)CC(=O)C=C(C=O)C1=O

nearest known ligand 0.39

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.39
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
NR2F2 P24468 1/20 0.33
MAPT P10636 1/20 0.32
HPGD P15428 1/20 0.32
LMNA P02545 1/20 0.30
NPC1 O15118 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL5710091 0.74 ALDH1A1 (0.36) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL444616 0.71 L3MBTL1 (0.46) L3MBTL1ALDH1A1MEN1KMT2ANR2F2
SCHEMBL124554 0.68 ALDH1A1 (0.61) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL11244350 0.66
SCHEMBL9693145 0.63 L3MBTL1 (0.33) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL9691487 0.63 L3MBTL1 (0.33) L3MBTL1ALDH1A1MEN1KMT2A
SCHEMBL4428965 0.61
SCHEMBL7529638 0.61 ALDH1A1 (0.33) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13284544 0.60 LMNA (0.54) L3MBTL1ALDH1A1MEN1KMT2AMAPT
SCHEMBL5710191 0.60 GAA (0.39) L3MBTL1ALDH1A1MEN1KMT2AMAPT

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-0311408-B1 PROCESS FOR PREPARING 3,5,5-TRIMETHYLCYCLOHEXA-2-EN-1,4-DIONE SODA AROMATIC COMPANY, LIMITED (JP) 1993-03-31 EP disclosed
US-4898985-A OXIDIZING IN PRESENCE OF PORPHYRIN OR PHTHALOCYANINE COMPLEX SODA AROMATIC COMPANY, LIMITED (JP) 1990-02-06 US disclosed
EP-0311408-A2 Process for preparing 3,5,5-trimethylcyclohexa-2-en-1,4-dione SODA AROMATIC COMPANY, LIMITED (JP) 1989-04-12 EP disclosed