SCHEMBL6819934

SCHEMBL6819934

COc1ccc(SC(CC(=O)O)Cc2ccccc2)cc1OC

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LDHA P00338 1/20 0.46
FPR2 P25090 1/20 0.46
RAB9A P51151 3/20 0.44
NPC1 O15118 2/20 0.44
TNF P01375 1/20 0.44
CPA1 P15085 2/20 0.43
CPB1 P15086 1/20 0.43
CPA3 P15088 1/20 0.43
CPB2 Q96IY4 1/20 0.43
MAPT P10636 2/20 0.43
CYP3A4 P08684 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.43
ALOX15 P16050 1/20 0.43
TSHR P16473 1/20 0.43
LMNA P02545 1/20 0.43
ALDH1A1 P00352 3/20 0.43
POLB P06746 2/20 0.42
TRPV1 Q8NER1 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
SCHEMBL6824575 0.88 PDE4A (0.51) FPR2RAB9ANPC1MAPTCYP3A4
SCHEMBL6824567 0.88 NPC1 (0.48) RAB9ANPC1MAPTSMN1; SMN2GAA
SCHEMBL6823845 0.85 PDE4A (0.49) RAB9ANPC1MAPTSMN1; SMN2KDM4E
SCHEMBL6823160 0.84 PDE4A (0.50) RAB9ANPC1MAPTSMN1; SMN2LMNA
SCHEMBL6823946 0.83 PPARG (0.52) LDHAFPR2RAB9ANPC1CPA1
SCHEMBL7310081 0.80 CPA1 (0.49) CPA1CPB1CPA3CPB2MAPT
SCHEMBL6823192 0.79 TNF (0.48) TNFSMN1; SMN2LMNAALDH1A1POLB
SCHEMBL7308314 0.79 CPA1 (0.58) CPA1CPB1CPA3CPB2
SCHEMBL7301812 0.78 CYP1A1 (0.52) RAB9ANPC1MAPTKDM4ELMNA
SCHEMBL7301821 0.77 ALDH1A1 (0.48) RAB9ANPC1MAPTCYP3A4SMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0871439-B1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS AVENTIS PHARMA INC (US) 2004-03-31 EP disclosed
US-6057369-A USE IN THE TREATMENT OF DISEASE STATES ASSOCIATED WITH PROTEINS THAT MEDIATE CELLULAR ACTIVITY WHICH ARE CAPABLE OF BEING MODULATED BY INHIBITING A MATRIX METALLOPROTEINASE (MMP), TUMOR NECROSIS FACTOR (TNF) OR CYCLIC AMP RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 2000-05-02 US disclosed
EP-0871439-A4 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE POULENC RORER PHARMA (US) 1999-07-21 EP disclosed
EP-0871439-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS, INC. (US) 1998-10-21 EP disclosed
WO-1997024117-A1 SUBSTITUTED (ARYL, HETEROARYL, ARYLMETHYL OR HETEROARYLMETHYL) HYDROXAMIC ACID COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1997-07-10 WO disclosed