SCHEMBL9820668

SCHEMBL9820668

CN=C1c2c(O)c(NC(C)=O)cc(C)c2C2CCCCC12

nearest known ligand 0.32

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.32
NPC1 O15118 2/20 0.32
PKM P14618 1/20 0.32
HTT P42858 1/20 0.32
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
BCL2L1 Q07817 1/20 0.31
KMT2A Q03164 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
POLB P06746 1/20 0.30
MAPT P10636 1/20 0.30
RAB9A P51151 1/20 0.30

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
SCHEMBL9820794 0.84 ALDH1A1 (0.33) GAANPC1PKMHTTALDH1A1
SCHEMBL9869965 0.74 CYP1A2 (0.35) GAAALDH1A1KMT2ATDP1POLB
SCHEMBL9820813 0.74 MAOA (0.42) NPC1HTTALDH1A1KMT2ATDP1
SCHEMBL9820696 0.72 MAOA (0.31) KMT2A
SCHEMBL9820690 0.72 MAOA (0.31) KMT2A
SCHEMBL9820587 0.69 ALDH1A1 (0.31) ALDH1A1HPGD
SCHEMBL9820645 0.69 MAOA (0.31)
SCHEMBL9820650 0.69 MAOA (0.31)
SCHEMBL9820850 0.63 MAOA (0.39) ALDH1A1HPGDBCL2L1KMT2ATDP1
SCHEMBL10664901 0.62 ALDH1A1 (0.38) NPC1ALDH1A1HPGDKMT2APOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5017724-A Antihypoxic, CNS OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-21 US disclosed
EP-0267024-B1 HYDROFLUORENE DERIVATIVES OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1991-05-02 EP disclosed
EP-0267024-A2 Hydrofluorene derivatives OTSUKA PHARMACEUTICAL CO., LTD. (JP) 1988-05-11 EP disclosed