SCHEMBL11113554

SCHEMBL11113554

NC(=O)C1Oc2ccccc2-c2ccccc21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 2/20 0.49
ADORA3 P0DMS8 1/20 0.40
AR P10275 1/20 0.40
HSD11B1 P28845 1/20 0.40
AKR1C3 P42330 1/20 0.40
ALDH1A1 P00352 2/20 0.39
HDAC3 O15379 2/20 0.38
HDAC4 P56524 2/20 0.38
HDAC7 Q8WUI4 2/20 0.38
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC9 Q9UKV0 2/20 0.38
HDAC5 Q9UQL6 2/20 0.38
NCOR2 Q9Y618 1/20 0.38
CYP2C9 P11712 1/20 0.38
POLB P06746 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
TDP1 Q9NUW8 1/20 0.35
HDAC1 Q13547 1/20 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
SCHEMBL10851119 0.84 ADORA3 (0.41) ATMADORA3ARHSD11B1AKR1C3
SCHEMBL11106506 0.83 RET (0.40) ATMARALDH1A1POLBHTR7
SCHEMBL11109690 0.83 ATM (0.37) ATMALDH1A1HTR7HTR2B
SCHEMBL11104414 0.83 PPIA (0.38) ATMALDH1A1POLBKMT2A
SCHEMBL11105851 0.83 AR (0.46) ATMARALDH1A1POLBHTR7
SCHEMBL28249684 0.81 ALDH1A1 (0.47) ATMALDH1A1CYP2C9MEN1KMT2A
SCHEMBL11107751 0.80 PPIA (0.41) ATMALDH1A1MEN1KMT2AHSD17B10
SCHEMBL11108838 0.80 ALDH1A1 (0.47) ATMARALDH1A1POLBMEN1
SCHEMBL11108787 0.80 ALDH1A1 (0.44) ATMARALDH1A1MEN1KMT2A
SCHEMBL11113388 0.79 CYP1A2 (0.51) ALDH1A1MEN1KMT2A

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-4463001-A ANTIULCER AGENTS FARMITALIA CARLO ERBA S.P.A. (IT) 1984-07-31 US disclosed