SCHEMBL8941793

SCHEMBL8941793

COc1cccc2c(CCO)cccc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 2/20 0.47
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
ATM Q13315 1/20 0.46
CYP2C9 P11712 1/20 0.45
HIF1A Q16665 1/20 0.45
HTR1A P08908 2/20 0.45
ADRA1D P25100 2/20 0.45
ADRA1A P35348 2/20 0.45
ADRA1B P35368 2/20 0.45
SIGMAR1 Q99720 1/20 0.45
ALOX5 P09917 1/20 0.44
PTGS2 P35354 1/20 0.44
TAAR1 Q96RJ0 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.42
ATP4A P20648 1/20 0.41
ATP4B P51164 1/20 0.41
IDO1 P14902 2/20 0.41
HTR2A P28223 1/20 0.41
SLC6A4 P31645 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
SCHEMBL31331974 1.00 SLC2A1 (0.47) SLC2A1MEN1KMT2AATMCYP2C9
SCHEMBL11736830 0.89 SLC2A1 (0.57) SLC2A1MEN1KMT2AATMCYP2C9
SCHEMBL13486908 0.86 MEN1 (0.49) SLC2A1MEN1KMT2AATMCYP2C9
SCHEMBL11673960 0.85 ALOX5 (0.54) SLC2A1MEN1KMT2AATMCYP2C9
SCHEMBL12405304 0.83 MEN1 (0.47) SLC2A1MEN1KMT2AATMCYP2C9
SCHEMBL11315591 0.82 TDP1 (0.42) CYP2C9
SCHEMBL9122622 0.81 TAAR1 (0.67) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL31332014 0.81 TAAR1 (0.67) HTR1AADRA1DADRA1AADRA1BTAAR1
SCHEMBL8941972 0.81 HTR1A (0.45) SLC2A1MEN1KMT2AATMCYP2C9
SCHEMBL29474956 0.80 TAAR1 (0.64) SIGMAR1TAAR1IDO1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480913-A DIHYDRO-PHENANTHRENE DERIVATIVES, SIDE EFFECT REDUCTION ARCH DEVELOPMENT CORPORATION (US) 1996-01-02 US disclosed
EP-0363128-B1 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1993-09-01 EP disclosed
US-5208263-A Dihydrophenanthrene derivatives ARCH DEVELOPMENT CORPORATION (US) 1993-05-04 US disclosed
WO-1990003979-A2 ANTI-ANDROGEN COMPOUNDS ARCH DEVELOPMENT CORPORATION (US) 1990-04-19 WO disclosed
EP-0363128-A2 Anti-androgen compounds ARCH DEVELOPMENT CORPORATION (US) 1990-04-11 EP disclosed