SCHEMBL8990310

SCHEMBL8990310

c1ccc(C[C@@]2(COC[C@]3(Cc4ccccc4)CO3)CO2)cc1

nearest known ligand 0.41

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAOA P21397 7/20 0.41
MAOB P27338 7/20 0.41
TSHR P16473 1/20 0.38
KDM1A O60341 4/20 0.34
TACR1 P25103 1/20 0.33
LMNA P02545 1/20 0.33
HTT P42858 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CALM1 P0DP23 1/20 0.32
ATM Q13315 2/20 0.32
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
OPRM1 P35372 1/20 0.32
OPRK1 P41145 1/20 0.32
OPRL1 P41146 1/20 0.32

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
SCHEMBL23611125 0.85 MAOA (0.48) MAOAMAOBTSHRKDM1ALMNA
SCHEMBL476346 0.83 TDP1 (0.38) MAOAMAOBLMNAL3MBTL1MEN1
SCHEMBL10371092 0.80 TSHR (0.54) TSHRTACR1LMNA
SCHEMBL4912036 0.78 MAOA (0.47) MAOAMAOBKDM1A
SCHEMBL3870625 0.78 MAOA (0.47) MAOAMAOBKDM1A
SCHEMBL9384798 0.78 MAOA (0.42) MAOAMAOBTSHRKDM1ALMNA
SCHEMBL8308191 0.78 MAOA (0.47) MAOAMAOBKDM1A
SCHEMBL476360 0.77 HPGD (0.49) MAOAMAOBTSHRLMNAL3MBTL1
SCHEMBL8558732 0.74 TSHR (0.47) TSHRTACR1LMNANPSR1MEN1
SCHEMBL7404874 0.73 TSHR (0.45) MAOAMAOBTSHRKDM1ATACR1

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
US-5532225-A TREATMENT OF HERPES VIRUS SRI INTERNATIONAL (US) 1996-07-02 US disclosed
WO-1994003466-A1 ACYCLIC PURINE PHOSPHONATE NUCLEOTIDE ANALOGS AS ANTIVIRAL AGENTS, AND RELATED SYNTHETIC METHODS SRI INTERNATIONAL (US) 1994-02-17 WO disclosed