SCHEMBL8417675

SCHEMBL8417675

C=CCOc1ccc(CCC(C)=O)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.67
KMT2A Q03164 2/20 0.67
ALDH1A1 P00352 3/20 0.49
MAPT P10636 3/20 0.49
POLB P06746 3/20 0.49
USP2 O75604 1/20 0.49
CACNA1B Q00975 1/20 0.49
APBA1 Q02410 1/20 0.49
NPC1 O15118 3/20 0.49
RAB9A P51151 3/20 0.49
LMNA P02545 2/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
TP53 P04637 2/20 0.49
KDM4E B2RXH2 1/20 0.49
CYP1A2 P05177 1/20 0.49
CYP3A4 P08684 1/20 0.49
MAOA P21397 1/20 0.49
SLC6A2 P23975 1/20 0.49
SLC6A3 Q01959 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.46

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
SCHEMBL3686436 0.85 FFAR1 (0.59) MEN1KMT2ALMNAL3MBTL1FFAR1
SCHEMBL11023299 0.84 ADRB2 (0.53) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL8022636 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL8421939 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL11981916 0.84 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL10805062 0.84 NDUFS8 (0.53) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL8024395 0.82 CYP4F2 (0.59) MEN1KMT2AALDH1A1MAPTPOLB
SCHEMBL2097631 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL10799299 0.81 MEN1 (0.49) MEN1KMT2AALDH1A1MAPTNPC1
SCHEMBL2556045 0.80 MEN1 (0.51) MEN1KMT2AALDH1A1MAPTNPC1

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
US-5919793-A QUINUCLIDINE DERIVATIVES, SQUALENE SYNTHETASE INHIBITORS, ANTICHOLESTEROL AGENTS ZENECA LIMITED (GB) 1999-07-06 US disclosed
CN-1121718-A Heterocyclic derivatives ZENECA LTD (GB) 1996-05-01 CN disclosed
EP-0696284-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025459-A1 HETEROCYCLIC DERIVATIVES ZENECA LIMITED (GB) 1994-11-10 WO disclosed
US-4393079-A ANTIINFLAMMATORY AROMATIC KETONES BEECHAM GROUP LIMITED (GB) 1983-07-12 US disclosed
US-4216232-A Pharmaceutical compositions BEECHAM GROUP LIMITED (GB) 1980-08-05 US disclosed