SCHEMBL8941579

SCHEMBL8941579

CC(C)(c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1)c1ccc(Oc2ccc(S(C)(=O)=O)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 7/20 0.46
HTT P42858 6/20 0.46
ALDH1A1 P00352 6/20 0.46
LMNA P02545 5/20 0.46
NR3C2 P08235 1/20 0.43
PTGS2 P35354 3/20 0.42
ENPP2 Q13822 1/20 0.42
NPC1 O15118 3/20 0.42
RAB9A P51151 3/20 0.42
MAPT P10636 2/20 0.41
MAPK1 P28482 2/20 0.41
HPGD P15428 1/20 0.41
TP53 P04637 1/20 0.41
TSHR P16473 1/20 0.41
XBP1 P17861 1/20 0.41
MDM2 Q00987 1/20 0.41
HSD17B10 Q99714 1/20 0.41
POLB P06746 1/20 0.41
PTGS1 P23219 1/20 0.40
SOS1 Q07889 1/20 0.40

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
SCHEMBL2758535 0.93 HTT (0.51) SMN1; SMN2HTTALDH1A1LMNAPTGS2
SCHEMBL8941539 0.93 NR3C2 (0.54) SMN1; SMN2HTTALDH1A1LMNANR3C2
SCHEMBL2758530 0.89 PTGS2 (0.50) SMN1; SMN2HTTPTGS2PTGS1
SCHEMBL11547843 0.85 HTT (0.58) SMN1; SMN2HTTALDH1A1LMNAPTGS2
SCHEMBL16417771 0.85 ELANE (0.49) SMN1; SMN2HTTALDH1A1LMNAPTGS2
SCHEMBL7990329 0.83 PTGS2 (0.57) PTGS2PTGS1
SCHEMBL19008827 0.80 PKM (0.66) SMN1; SMN2HTT
SCHEMBL822791 0.80 HTT (0.67) SMN1; SMN2HTTALDH1A1LMNAMAPT
SCHEMBL3020464 0.80 HTT (0.62) SMN1; SMN2HTTLMNANR3C2SOS1
SCHEMBL16378710 0.80 PKM (0.66) SMN1; SMN2HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5480568-A FOR LUBRICATING METAL CONTAINING SURFACES THE DOW CHEMICAL COMPANY (US) 1996-01-02 US claimed