SCHEMBL8022216

SCHEMBL8022216

CCCC(CC)(CC)C(C(=O)O)C(=O)Oc1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 2/20 0.44
ATM Q13315 1/20 0.44
ELANE P08246 3/20 0.38
MAPT P10636 2/20 0.38
CYP1A2 P05177 3/20 0.37
KMT2A Q03164 4/20 0.36
MEN1 O00255 3/20 0.36
ALDH1A1 P00352 1/20 0.36
THRB P10828 1/20 0.36
HPGD P15428 1/20 0.36
KDM4E B2RXH2 2/20 0.35
RECQL P46063 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
NPSR1 Q6W5P4 2/20 0.35
FAAH O00519 3/20 0.35
LMNA P02545 3/20 0.35
PPARG P37231 2/20 0.35
PPARA Q07869 2/20 0.35
CYP3A4 P08684 2/20 0.35
CYP2D6 P10635 2/20 0.35

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
SCHEMBL8022213 0.94 L3MBTL1 (0.46) L3MBTL1ATMELANEMAPTCYP1A2
SCHEMBL6220966 0.74 ATM (0.51) L3MBTL1ATMELANEMAPTCYP1A2
SCHEMBL20953994 0.71 HDAC1 (0.37) MAPTCYP1A2KMT2AMEN1ALDH1A1
SCHEMBL28703056 0.71 ATM (0.50) L3MBTL1ATMELANEMAPTCYP1A2
SCHEMBL28398100 0.70 CHRM1 (0.33) TDP1LMNAHSD17B10
SCHEMBL19105238 0.69 TDP1 (0.53) L3MBTL1ATMELANEMAPTCYP1A2
SCHEMBL28668235 0.69 ELANE (0.50) L3MBTL1ATMELANEMAPTCYP1A2
SCHEMBL7914370 0.69 HDAC1 (0.54) L3MBTL1ATMELANEMAPTCYP1A2
SCHEMBL27359972 0.69 TDP1 (0.53) L3MBTL1ATMALDH1A1KDM4ETDP1
SCHEMBL28008714 0.69 ELANE (0.43) L3MBTL1ATMELANEMAPTCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6072073-A REACTING COMPOUND HAVING CARBONYL GROUP WITH ARYLATING OR VINYLATING COMPOUND IN PRESENCE OF BASE AND TRANSITION METAL CATALYST YALE UNIVERSITY (US) 2000-06-06 US disclosed