SCHEMBL7592062

SCHEMBL7592062

C[S+]([O-])c1ccc(C(=O)c2ccc(O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 4/20 0.60
MAPT P10636 3/20 0.60
HTT P42858 2/20 0.60
HPGD P15428 2/20 0.60
ESR1 P03372 1/20 0.60
ESR2 Q92731 1/20 0.60
PKM P14618 1/20 0.60
SRD5A2 P31213 2/20 0.52
MAPK1 P28482 2/20 0.50
SMN1; SMN2 Q16637 1/20 0.48
MEN1 O00255 1/20 0.47
RAB9A P51151 1/20 0.47
KMT2A Q03164 1/20 0.47
ELANE P08246 1/20 0.44
CA1 P00915 3/20 0.43
CA2 P00918 3/20 0.43
TDP1 Q9NUW8 2/20 0.43
POLB P06746 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
MMP2 P08253 1/20 0.42

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
SCHEMBL17907433 0.92 ALDH1A1 (0.48) LMNAMAPTHTTHPGDESR1
SCHEMBL1128694 0.85 LMNA (0.44) LMNAMAPTHPGDESR1ESR2
SCHEMBL8065192 0.84 ALDH1A1 (0.56) LMNAMAPTHTTHPGDSRD5A2
SCHEMBL699850 0.78 LMNA (1.00) LMNAMAPTHTTHPGDESR1
SCHEMBL18423 0.78 LMNA (1.00) LMNAMAPTHTTHPGDESR1
SCHEMBL7940723 0.77 MEN1 (0.63) LMNAMAPTHTTHPGDESR1
SCHEMBL3644304 0.77 TSHR (0.55) HPGDSRD5A2SMN1; SMN2CA1CA2
SCHEMBL31256698 0.77 MAPK1 (0.47) LMNAMAPTHPGDMAPK1SMN1; SMN2
SCHEMBL3974617 0.75 PARP10 (0.47) LMNAMAPTKMT2ACA1CA2
SCHEMBL8068752 0.75 ALDH1A1 (0.45) LMNACA1CA2ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1090017-B1 NOVEL COMPOUNDS DERIVED FROM ALPHA-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER IND & SANTE (FR) 2002-10-30 EP disclosed
US-6291433-B1 Derivatives of α-D-Thioxyloside and their use against atheroma FOURNIER INDUSTRIE ET SANTE (FR) 2001-09-18 US disclosed
EP-1090017-A1 NOVEL COMPOUNDS DERIVED FROM $g(a)-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 2001-04-11 EP disclosed
WO-1999067261-A1 NOVEL COMPOUNDS DERIVED FROM α-D-XYLOSE, PREPARATION METHOD AND THERAPEUTIC USE FOURNIER INDUSTRIE ET SANTE (FR) 1999-12-29 WO disclosed