SCHEMBL9110840

SCHEMBL9110840

CCCCC1C(=O)C(C)=C(C)C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.47
HPGD P15428 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
MAPT P10636 2/20 0.47
KDM4E B2RXH2 2/20 0.47
PKM P14618 1/20 0.47
TP53 P04637 3/20 0.39
HTT P42858 1/20 0.37
CYP1A2 P05177 4/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.35
CYP2C9 P11712 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 1/20 0.35
PTGS1 P23219 1/20 0.35
RAB9A P51151 1/20 0.35
NAPRT Q6XQN6 1/20 0.35
GAA P10253 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33

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
SCHEMBL7648197 0.74 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL3226604 0.74 ALDH1A1 (0.40) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1154374 0.73 TP53 (0.54) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL5259007 0.70 TP53 (0.47) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL9063018 0.70 ALDH1A1 (0.76) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1687050 0.70 TP53 (0.52) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL23361609 0.69 CYP1A2 (0.42) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL14441611 0.69 TP53 (0.42) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1325541 0.69 RAB9A (0.44) ALDH1A1HPGDMEN1KMT2AMAPT
SCHEMBL1426468 0.69 ELANE (0.48) ALDH1A1HPGDMEN1KMT2AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-1995010261-A1 NOVEL CYCLOPENT-1-EN-3,5-DIONE COMPOUNDS AND COMPOSITIONS UNION CAMP CORPORATION (US) 1995-04-20 WO claimed
US-5407910-A Floral fragrances UNION CAMP CORPORATION (US) 1995-04-18 US claimed
WO-1995010261-A1 NOVEL CYCLOPENT-1-EN-3,5-DIONE COMPOUNDS AND COMPOSITIONS UNION CAMP CORPORATION (US) 1995-04-20 WO disclosed
WO-1995010261-A1 NOVEL CYCLOPENT-1-EN-3,5-DIONE COMPOUNDS AND COMPOSITIONS UNION CAMP CORPORATION (US) 1995-04-20 WO disclosed
US-5407910-A Floral fragrances UNION CAMP CORPORATION (US) 1995-04-18 US disclosed
US-5407910-A Floral fragrances UNION CAMP CORPORATION (US) 1995-04-18 US disclosed