SCHEMBL31455426

SCHEMBL31455426

O=C(OCc1ccccc1)C1CC2CC1CC2O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.49
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
MAPK1 P28482 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
SLC6A2 P23975 1/20 0.44
SLC6A3 Q01959 1/20 0.44
KMT2A Q03164 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
TSHR P16473 2/20 0.43
CPB1 P15086 1/20 0.42
F2 P00734 2/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
CYP1A2 P05177 2/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2D6 P10635 1/20 0.41

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
SCHEMBL18562168 0.82 ALDH1A1 (0.56) ALDH1A1FABP7FABP5MAPK1L3MBTL1
SCHEMBL16617730 0.82 CPB1 (0.57) ALDH1A1FABP7FABP5MAPK1KMT2A
SCHEMBL16617732 0.82 CPB1 (0.57) ALDH1A1FABP7FABP5MAPK1KMT2A
SCHEMBL31455254 0.81 ALDH1A1 (0.45) ALDH1A1FABP7FABP5MAPK1L3MBTL1
SCHEMBL25245808 0.79 ALDH1A1 (0.56) ALDH1A1FABP7FABP5MAPK1L3MBTL1
SCHEMBL12986807 0.79 ALDH1A1 (0.56) ALDH1A1FABP7FABP5MAPK1L3MBTL1
SCHEMBL12986806 0.79 ALDH1A1 (0.56) ALDH1A1FABP7FABP5MAPK1L3MBTL1
SCHEMBL30258886 0.79 HPGD (0.49) ALDH1A1FABP7FABP5MAPK1L3MBTL1
SCHEMBL14603706 0.78 CPB1 (0.54) ALDH1A1TSHRCPB1
SCHEMBL14644758 0.78 CPB1 (0.54) ALDH1A1TSHRCPB1

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
WO-2025059577-A1 SUBSTITUTED AMINOPYRIDINE COMPOUNDS FOR USE AS AKT1 INHIBITORS ATAVISTIK BIO, INC. (US) 2025-03-20 WO disclosed