SCHEMBL8199773

SCHEMBL8199773

C[C@H]1COC2=C1C(=O)C(=O)c1c2ccc2c1CCC[C@@H]2C

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 7/20 0.63
▸ KMT2A Q03164 7/20 0.63
▸ ALDH1A1 P00352 6/20 0.63
▸ TDP1 Q9NUW8 5/20 0.63
▸ CES2 O00748 5/20 0.63
▸ HPGD P15428 5/20 0.63
▸ HSD17B10 Q99714 5/20 0.63
▸ KDM4E B2RXH2 4/20 0.63
▸ MAPT P10636 4/20 0.63
▸ RECQL P46063 4/20 0.63
▸ CES1 P23141 4/20 0.63
▸ CYP3A4 P08684 4/20 0.63
▸ BLM P54132 4/20 0.63
▸ IDO1 P14902 3/20 0.63
▸ PTPN6 P29350 3/20 0.63
▸ PTPN11 Q06124 3/20 0.63
▸ HIF1A Q16665 3/20 0.63
▸ EPAS1 Q99814 3/20 0.63
▸ KDM1A O60341 2/20 0.63
▸ THRB P10828 2/20 0.63

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
SCHEMBL16421122 1.00 MEN1 (0.63) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL31007076 0.80 MEN1 (0.63) MEN1KMT2AALDH1A1TDP1CES2
Cryptotanshinone SCHEMBL4126834 0.77 MEN1 (1.00) MEN1KMT2AALDH1A1TDP1CES2
Cryptotanshinone SCHEMBL29387944 0.77 MEN1 (1.00) MEN1KMT2AALDH1A1TDP1CES2
Cryptotanshinone SCHEMBL5940386 0.77 MEN1 (1.00) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL29583434 0.76 MEN1 (0.58) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL16421130 0.76 MEN1 (0.58) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL4114682 0.76 EED (0.56) MEN1KMT2AALDH1A1TDP1CES2
SCHEMBL16421134 0.76 EED (0.56) MEN1KMT2AALDH1A1TDP1CES2
Dihydrotanshinone I SCHEMBL13049977 0.74 TDP1 (1.00) MEN1KMT2AALDH1A1TDP1CES2

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-2008066299-A1 PHARMACEUTICAL COMPOSITION FOR THE TREATMENT AND PREVENTION OF DISEASES INVOLVING IMPOTENCE MAZENCE INC. (KR) 2008-06-05 — — WO disclosed
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