SCHEMBL11547175

SCHEMBL11547175

C=C(C)COC(C)OC(=O)c1ccccc1S(=O)(=O)O

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CA9 Q16790 2/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA5A P35218 1/20 0.38
CYP1A2 P05177 1/20 0.35
NPC1 O15118 2/20 0.35
ALDH1A1 P00352 3/20 0.34
TSHR P16473 2/20 0.34
KMT2A Q03164 3/20 0.32
MEN1 O00255 1/20 0.32
LMNA P02545 2/20 0.32
MAPT P10636 1/20 0.32
SCN1A P35498 1/20 0.31
SCN2A Q99250 1/20 0.31
SCN3A Q9NY46 1/20 0.31
GAA P10253 1/20 0.31
GPR174 Q9BXC1 1/20 0.31
DDX3X O00571 1/20 0.31
CA12 O43570 1/20 0.30

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
SCHEMBL36714 0.86 TSHR (0.45) NPC1ALDH1A1TSHRKMT2ALMNA
SCHEMBL11547180 0.82 CA1 (0.39) CA9CA1CA2CA5ACYP1A2
SCHEMBL10731368 0.80 PTPN2 (0.38) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL3393004 0.77 NPC1 (0.54) CA9CA1CA2CA5ACYP1A2
SCHEMBL8190348 0.76 TSHR (0.46) CYP1A2NPC1ALDH1A1TSHRLMNA
SCHEMBL6436250 0.76 CA1 (0.46) CA9CA1CA2CA5ACYP1A2
SCHEMBL11548054 0.75 CA9 (0.38) CA9CA1CA2CA5ANPC1
SCHEMBL11829743 0.75 CA1 (0.38) CA9CA1CA2CA5ACYP1A2
SCHEMBL10728031 0.74 PTPN2 (0.35) NPC1ALDH1A1TSHRKMT2AMEN1
SCHEMBL5189160 0.72 CA12 (0.41) CA9CA1CA2NPC1ALDH1A1

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
US-4143020-A COPOLYMERS OF SULFONIC ACID MONOMERS ROHM AND HAAS COMPANY (US) 1979-03-06 US claimed
US-4143020-A COPOLYMERS OF SULFONIC ACID MONOMERS ROHM AND HAAS COMPANY (US) 1979-03-06 US disclosed
US-4131736-A Polymers of sulfonic acid monomers ROHM AND HAAS COMPANY (US) 1978-12-26 US disclosed
US-3992333-A NITROGEN AND SULFUR CONTAINING COPOLYMER IS SELF-CROSSLINKING BINDER ROHM AND HAAS COMPANY (US) 1976-11-16 US disclosed