SCHEMBL6535392

SCHEMBL6535392

O=Cc1ccc(OCCc2cc3ccccc3[nH]2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 1/20 0.48
HDAC8 Q9BY41 4/20 0.43
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC7 Q8WUI4 2/20 0.43
HDAC2 Q92769 2/20 0.43
HDAC10 Q969S8 2/20 0.43
HDAC11 Q96DB2 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
HDAC9 Q9UKV0 2/20 0.43
HDAC5 Q9UQL6 2/20 0.43
LOXL2 Q9Y4K0 1/20 0.43
MTNR1A P48039 1/20 0.43
MTNR1B P49286 1/20 0.43
AR P10275 1/20 0.43
CYP2A6 P11509 1/20 0.43
HRH3 Q9Y5N1 1/20 0.42
ALDH1A1 P00352 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41

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
SCHEMBL6523260 0.83 MTNR1A (0.43) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL7490651 0.80 PKM (0.55) MTNR1AMTNR1BARMAPTHPGD
SCHEMBL6536071 0.80 MTNR1A (0.46) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6536271 0.78 NR1H4 (0.55) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6519515 0.77 PPARG (0.55) MTNR1AMTNR1BARDRD2DRD3
SCHEMBL6516521 0.77 MAPT (0.57) RAB9AMTNR1AMTNR1BALDH1A1SMN1; SMN2
SCHEMBL27488329 0.77 LOXL2 (0.50) HDAC8HDAC3HDAC4HDAC1HDAC7
SCHEMBL6516755 0.75 ALDH1A1 (0.50) RAB9AHDAC8HDAC3HDAC4HDAC1
SCHEMBL9311302 0.74 RAB9A (0.73) RAB9AALDH1A1SMN1; SMN2LMNAMAPT
SCHEMBL6516292 0.74 FFAR1 (0.49) RAB9AMTNR1AMTNR1BALDH1A1SMN1; SMN2

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-1465858-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY Sigma-Tau Industrie Farmaceutiche Riunite S.p.A. (IT) 2004-10-13 EP disclosed
WO-2003059864-A2 PHENY(ALKYL)CARBOXYLIC ACID DERIVATIVES AND DIONIC PHENYLALKYLHETEROCYCLIC DERIVATIVES AND THEIR USE AS MEDICINES WITH SERUM GLUCOSE AND/OR SERUM LIPID LOWERING ACTIVITY SIGMA-TAU INDUSTRIE FARMACEUTICHE RIUNITE S.P.A. (IT) 2003-07-24 WO disclosed