SCHEMBL23489481

SCHEMBL23489481

CCC1CC(=O)N(c2ccc(Cc3ccc(N4C(=O)C=CC4=O)cc3)cc2)C1=O

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MGLL Q99685 6/20 0.58
FAAH O00519 3/20 0.58
POLB P06746 2/20 0.46
ALDH1A1 P00352 3/20 0.45
MEN1 O00255 1/20 0.45
TSHR P16473 1/20 0.45
KMT2A Q03164 1/20 0.45
MT-CO2 P00403 1/20 0.44
ALOX5 P09917 1/20 0.44
L3MBTL1 Q9Y468 2/20 0.43
RECQL P46063 1/20 0.41
HSP90AA1 P07900 1/20 0.40
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
HPGD P15428 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL20133521 0.84 ALDH1A1 (0.52) MGLLPOLBALDH1A1MEN1TSHR
SCHEMBL14159540 0.83 MGLL (0.62) MGLLFAAHPOLBALDH1A1MEN1
SCHEMBL18538548 0.81 MGLL (0.58) MGLLFAAHPOLBALDH1A1MEN1
SCHEMBL16675654 0.80 MGLL (0.57) MGLLFAAHPOLBALDH1A1L3MBTL1
SCHEMBL29688496 0.77 MT-CO2 (0.68) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL19231516 0.77 MT-CO2 (0.49) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL18626074 0.77 MT-CO2 (0.46) POLBALDH1A1MEN1TSHRKMT2A
SCHEMBL114168 0.76 MGLL (1.00) MGLLFAAHALDH1A1HSP90AA1
SCHEMBL16615639 0.76 MAPT (0.63) MGLLFAAHPOLBALDH1A1MEN1
SCHEMBL19074780 0.75 MGLL (0.50) MGLLFAAHPOLBALDH1A1MEN1

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-20210170382-A1 CATALYTIC COMPOSITIONS AND THIOLENE-BASED COMPOSITIONS WITH EXTENDED POT LIFE PPG INDUSTRIES OHIO, INC. (US) 2021-06-10 US disclosed