SCHEMBL3264628

SCHEMBL3264628

O=C(O)C(CO)S(=O)(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
OR51E2 Q9H255 1/20 0.39
TGFBR1 P36897 3/20 0.35
SRC P12931 2/20 0.33
TP53 P04637 1/20 0.33
PDE4A P27815 1/20 0.32
SLC1A1 P43005 1/20 0.31
CHRM1 P11229 1/20 0.31
AKR1A1 P14550 1/20 0.31
CHRM3 P20309 1/20 0.31
HTR2A P28223 1/20 0.31
HTR2C P28335 1/20 0.31
ADRA1A P35348 1/20 0.31
HRH1 P35367 1/20 0.31
DRD3 P35462 1/20 0.31
SLC6A3 Q01959 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC2 Q92769 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
USP2 O75604 1/20 0.30
SLCO1B1 Q9Y6L6 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
SCHEMBL4654971 0.80 CHRM1 (0.38) SRCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL4140846 0.79 CHRM1 (0.33) OR51E2SRCCHRM1AKR1A1CHRM3
SCHEMBL23754689 0.78 SRC (0.33) SRCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL2813586 0.78 SRC (0.33) SRCCHRM1AKR1A1CHRM3HTR2A
SCHEMBL2722766 0.76 SLC22A6 (0.37) SRC
SCHEMBL9777404 0.76 TDP1 (0.43) SRCTDP1
SCHEMBL11360544 0.76 TDP1 (0.43) SRCTDP1
SCHEMBL987086 0.76 TDP1 (0.43) SRCTDP1
SCHEMBL10698540 0.76 TDP1 (0.43) SRCTDP1
SCHEMBL890709 0.76 CHRM1 (0.40) TGFBR1SRCTP53SLC1A1CHRM1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4309363-A PYROLYTIC DECOMPOSITION OF METAL ISETHIONATE CARBOXYLATES TO METAL VINYLSULFONATES TEXACO INC. (US) 1982-01-05 US claimed
WO-2010025435-A2 CONTROLLED-RELEASED PEPTIDE FORMULATIONS GENZYME CORPORATION (US) 2010-03-04 WO disclosed
EP-0136899-B1 AMORPHOUS SULFOPOLYESTERS MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1989-04-19 EP disclosed
US-4736066-A Intermediate for substituted peptide compounds E. R. SQUIBB & SONS, INC. (US) 1988-04-05 US disclosed
EP-0136899-A2 Amorphous sulfopolyesters MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1985-04-10 EP disclosed
US-4480085-A Amorphous sulfopolyesters MINNESOTA MINING AND MANUFACTURING COMPANY (US) 1984-10-30 US disclosed
US-4470973-A HYPOTENSIVE AGENTS, ANALGESICS E. R. SQUIBB & SONS, INC. (US) 1984-09-11 US disclosed
US-4309363-A PYROLYTIC DECOMPOSITION OF METAL ISETHIONATE CARBOXYLATES TO METAL VINYLSULFONATES TEXACO INC. (US) 1982-01-05 US disclosed
US-4309363-A PYROLYTIC DECOMPOSITION OF METAL ISETHIONATE CARBOXYLATES TO METAL VINYLSULFONATES TEXACO INC. (US) 1982-01-05 US disclosed