SCHEMBL10367266

SCHEMBL10367266

SCCC#CCc1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 1/20 0.44
KCNH2 Q12809 2/20 0.40
FFAR1 O14842 2/20 0.37
FFAR4 Q5NUL3 2/20 0.37
DHFR P00374 1/20 0.37
CALM1 P0DP23 1/20 0.36
TSHR P16473 3/20 0.34
ALDH1A1 P00352 2/20 0.34
ANPEP P15144 1/20 0.34
TP53 P04637 1/20 0.33
LOXL2 Q9Y4K0 1/20 0.33
TRPA1 O75762 1/20 0.33
GRM5 P41594 1/20 0.33

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
SCHEMBL3888886 0.83 CALM1 (0.50) IDO1KCNH2FFAR1FFAR4CALM1
SCHEMBL10366734 0.82 IDO1 (0.44) IDO1KCNH2FFAR1FFAR4ALDH1A1
SCHEMBL5700795 0.79 FFAR1 (0.49) KCNH2FFAR1FFAR4ALDH1A1LOXL2
SCHEMBL7786785 0.77 KCNH2 (0.40) IDO1KCNH2FFAR1FFAR4DHFR
SCHEMBL14085350 0.77 HTR2A (0.46) KCNH2FFAR1FFAR4DHFRLOXL2
SCHEMBL6722156 0.77 TDP1 (0.46) IDO1KCNH2FFAR1FFAR4CALM1
SCHEMBL3218912 0.77 KCNH2 (0.51) KCNH2FFAR1FFAR4DHFRCALM1
SCHEMBL6722153 0.77 FFAR1 (0.41) IDO1KCNH2FFAR1FFAR4CALM1
SCHEMBL28175144 0.76 GRM5 (0.51) IDO1KCNH2FFAR1FFAR4GRM5
SCHEMBL6722509 0.74 KDM4E (0.44) KCNH2FFAR1FFAR4CALM1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0164075-B1 7-OXABICYCLOHEPTANE SUBSTITUTED THIO PROSTAGLANDIN ANALOGS E.R. Squibb & Sons, Inc. (US) 1990-09-12 EP disclosed
US-4560698-A ANTIINFLAMMATORY, ANALGESIC, ANTICOAGULANT, BRONCHODILATOR, VASODILATION, ENZYME INHIBITORS E. R. SQUIBB & SONS, INC. (US) 1985-12-24 US disclosed
EP-0164075-A2 7-Oxabicycloheptane substituted thio prostaglandin analogs E.R. Squibb & Sons, Inc. (US) 1985-12-11 EP disclosed