SCHEMBL8941641

SCHEMBL8941641

O=S(=O)(c1ccc(Oc2ccc(C(c3ccc(Oc4ccc(S(=O)(=O)C(F)(F)F)cc4)cc3)(C(F)(F)F)C(F)(F)F)cc2)cc1)C(F)(F)F

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRZ1 P23471 1/20 0.50
PTPN1 P18031 2/20 0.43
ALDH1A1 P00352 5/20 0.41
HTT P42858 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
LMNA P02545 4/20 0.40
MAPK1 P28482 2/20 0.40
EPAS1 Q99814 3/20 0.40
SOS1 Q07889 2/20 0.40
HSD11B1 P28845 1/20 0.39
SCN7A Q01118 1/20 0.39
KCNH2 Q12809 1/20 0.39
SCN9A Q15858 1/20 0.39
ESR1 P03372 1/20 0.38
ESR2 Q92731 1/20 0.38
KIF11 P52732 1/20 0.38
NPC1 O15118 1/20 0.38
TP53 P04637 1/20 0.38
MAPT P10636 1/20 0.38
TSHR P16473 1/20 0.38

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
SCHEMBL5670628 0.89 LMNA (0.47) PTPRZ1ALDH1A1HTTSMN1; SMN2LMNA
SCHEMBL8941509 0.87 NR3C2 (0.44) PTPRZ1PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL11507063 0.87 PTPRZ1 (0.61) PTPRZ1PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL8941594 0.83 PTPRZ1 (0.50) PTPRZ1PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL8941529 0.82 PTPRZ1 (0.56) PTPRZ1PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL8941637 0.80 PTPRZ1 (0.49) PTPRZ1PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL24512752 0.79 PTPRZ1 (0.50) PTPRZ1PTPN1ALDH1A1HTTSMN1; SMN2
SCHEMBL822933 0.79 ALDH1A1 (0.50) PTPN1ALDH1A1HTTSMN1; SMN2MAPK1
SCHEMBL14288322 0.79 ESR1 (0.56) PTPN1HTTSMN1; SMN2HSD11B1ESR1
SCHEMBL822939 0.79 HTT (0.61) ALDH1A1HTTSMN1; SMN2LMNAHSD11B1

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