SCHEMBL8975800

SCHEMBL8975800

CC(=O)C(c1ccccc1)C(C)(C)C

nearest known ligand 0.59

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.59
ATM Q13315 1/20 0.59
CYP2D6 P10635 1/20 0.43
SRC P12931 1/20 0.43
HPGD P15428 1/20 0.42
LMNA P02545 3/20 0.41
MAPK1 P28482 1/20 0.41
KMT2A Q03164 1/20 0.41
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
MTNR1A P48039 1/20 0.40
MTNR1B P49286 1/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP3A4 P08684 1/20 0.39
SLC6A2 P23975 1/20 0.39
SLC6A4 P31645 1/20 0.39
SLC6A3 Q01959 1/20 0.39
TDP1 Q9NUW8 1/20 0.39

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
SCHEMBL27714855 0.85 L3MBTL1 (0.49) L3MBTL1ATMCYP2D6SRCHPGD
SCHEMBL17357501 0.84 L3MBTL1 (0.61) L3MBTL1ATMCYP2D6SRCLMNA
SCHEMBL66018 0.84 L3MBTL1 (0.61) L3MBTL1ATMCYP2D6SRCLMNA
SCHEMBL2416799 0.83 ATM (0.59) L3MBTL1ATMCYP2D6SRCLMNA
SCHEMBL21747696 0.82 ATM (0.53) L3MBTL1ATMHPGDLMNASLC6A2
SCHEMBL1706949 0.81 ATM (0.58) L3MBTL1ATMCYP2D6SRCLMNA
SCHEMBL10389938 0.81 L3MBTL1 (0.58) L3MBTL1ATMCYP2D6SRCHPGD
SCHEMBL12458246 0.81 ATM (0.44) L3MBTL1ATMCYP2D6SRCHPGD
SCHEMBL1703642 0.81 ATM (0.58) L3MBTL1ATMCYP2D6SRCLMNA
SCHEMBL8870520 0.81 L3MBTL1 (0.58) L3MBTL1ATMCYP2D6SRCHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3818053-A1 FUSED RING COMPOUND HAVING UREA STRUCTURE Sanford Burnham Prebys Medical Discovery Institute (US) 2021-05-12 EP disclosed
EP-0529804-B1 Catalysts comprising Copper and the use thereof in the preparation of aldehydes UNION CAMP CORP (US) 1996-04-17 EP disclosed
US-5241122-A Vapor phase dehydration of alcohols to aldehydes; high surface area UNION CAMP CORPORATION (US) 1993-08-31 US disclosed
EP-0529804-A2 Catalysts comprising Copper and the use thereof in the preparation of aldehydes Union Camp Corporation (US) 1993-03-03 EP disclosed
US-4629541-A ELECTROCHEMICAL REDUCTION OF ORGANICS HALIDES IN THE PRESENCE OF ACID ANHYDRIDES SOCIETE NATIONALE DES POUDRES ET EXPLOSIFS (FR) 1986-12-16 US disclosed