SCHEMBL11646275

SCHEMBL11646275

CC(COc1ccc(Cl)cc1-c1ccccc1)OS(=O)O

nearest known ligand 0.55

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ PTGDR2 Q9Y5Y4 5/20 0.55
▸ SLC6A9 P48067 2/20 0.42
▸ PTGER1 P34995 7/20 0.41
▸ EIF4EBP1 Q13541 1/20 0.41
▸ TBXA2R P21731 1/20 0.41
▸ PPARG P37231 1/20 0.41
▸ PTGER3 P43115 1/20 0.41
▸ CYP2C9 P11712 1/20 0.40
▸ HTR1A P08908 1/20 0.39
▸ HTR7 P34969 1/20 0.39
▸ SCN4A P35499 1/20 0.39
▸ CTSA P10619 2/20 0.39
▸ FFAR1 O14842 1/20 0.38
▸ FFAR4 Q5NUL3 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
SCHEMBL11646426 0.90 PTGDR2 (0.54) PTGDR2SLC6A9PTGER1EIF4EBP1TBXA2R
SCHEMBL11649316 0.84 ADRB2 (0.48) HTR7
SCHEMBL11649620 0.81 XDH (0.42) SLC6A9FFAR4
SCHEMBL11646432 0.78 PTGDR2 (0.49) PTGDR2SLC6A9PTGER1CYP2C9CTSA
SCHEMBL11619019 0.77 PTGDR2 (0.56) PTGDR2SLC6A9PTGER1TBXA2RPPARG
SCHEMBL11649321 0.73 ADRB2 (0.48) HTR1AHTR7
SCHEMBL11649161 0.73 MAPT (0.49) CYP2C9
Bromide SCHEMBL11618683 0.72 PTGDR2 (0.51) PTGDR2SLC6A9PTGER1TBXA2RPPARG
SCHEMBL12147097 0.72 PTGDR2 (1.00) PTGDR2
SCHEMBL11649623 0.71 XDH (0.41) SLC6A9FFAR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4104401-A Control of insects and acarids with alkynyl phenylphenol divalent aliphatic sulfites UNIROYAL, INC. (US) 1978-08-01 — — US disclosed
US-4003940-A INSECTICIDES, ACARICIDES UNIROYAL INC. (US) 1977-01-18 — — US disclosed
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