SCHEMBL9844880

SCHEMBL9844880

O=C1C=CC2C(=C1)Oc1ccccc12

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.38
MAOB P27338 1/20 0.38
CYP2C9 P11712 1/20 0.38
ATM Q13315 2/20 0.37
HDAC3 O15379 1/20 0.35
HDAC4 P56524 1/20 0.35
HDAC1 Q13547 1/20 0.35
HDAC7 Q8WUI4 1/20 0.35
HDAC2 Q92769 1/20 0.35
HDAC10 Q969S8 1/20 0.35
HDAC11 Q96DB2 1/20 0.35
HDAC8 Q9BY41 1/20 0.35
HDAC6 Q9UBN7 1/20 0.35
HDAC9 Q9UKV0 1/20 0.35
HDAC5 Q9UQL6 1/20 0.35
MEN1 O00255 4/20 0.33
KMT2A Q03164 4/20 0.33
USP2 O75604 1/20 0.33
NQO1 P15559 1/20 0.31
TSHR P16473 1/20 0.31

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
SCHEMBL17943821 0.74 CYP2C9 (0.42) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL5532233 0.72 MAOA (0.42) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL9693192 0.70 CYP2C9 (0.40) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL3236129 0.65 MAOA (0.58) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL29844073 0.65 ALOX15 (0.36) MAOBMEN1KMT2ATSHRMAPT
SCHEMBL271402 0.63 CYP2C9 (0.44) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL5668650 0.63 CYP2C9 (0.44) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL9844971 0.63 CYP2C9 (0.34) MAOAMAOBCYP2C9ATMMEN1
SCHEMBL18568246 0.62 ATM (0.42) MAOAMAOBCYP2C9ATMHDAC3
SCHEMBL20785354 0.60 MAOA (0.46) MAOAMAOBCYP2C9ATMHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0420571-A2 6-and/or 7-substituted -1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis MERCK & CO. INC. (US) 1991-04-03 EP disclosed
US-4978679-A 6- and/or 7-substituted-1,2,3,4,4A,9B-hexahydro-8-hydroxydibenzofuran-3-ols as inhibitors of leukotriene biosynthesis MERCK & CO., INC. (US) 1990-12-18 US disclosed