SCHEMBL5154654

SCHEMBL5154654

CS(=O)(=O)OCC(OC1CCCCO1)c1ccc(C(F)(F)F)cc1

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PTGDR Q13258 3/20 0.32
PDE2A O00408 2/20 0.32
TRPV1 Q8NER1 2/20 0.32
TBXA2R P21731 1/20 0.32
PTGER1 P34995 1/20 0.32
PTGER4 P35408 1/20 0.32
PTGFR P43088 1/20 0.32
PTGER3 P43115 1/20 0.32
PTGER2 P43116 1/20 0.32
PTGIR P43119 1/20 0.32
TSHR P16473 2/20 0.32
KDM4E B2RXH2 1/20 0.31
ADRB2 P07550 1/20 0.31
PTGS2 P35354 1/20 0.31
KMT2A Q03164 2/20 0.31
LMNA P02545 1/20 0.31

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
SCHEMBL7261721 0.88 TSHR (0.41) TSHRKMT2ALMNA
SCHEMBL5157375 0.87 MEN1 (0.34) KMT2A
SCHEMBL7261726 0.86 ALDH1A1 (0.38) TSHRKDM4EPTGS2KMT2ALMNA
SCHEMBL5158934 0.86 CA12 (0.37) PTGER4KMT2A
SCHEMBL5153999 0.86 SMN1; SMN2 (0.34) PTGER4
SCHEMBL5154401 0.86 SLC6A3 (0.40) PTGER4TSHRKMT2ALMNA
SCHEMBL5154394 0.86 SLC6A3 (0.40) PTGER4TSHRKMT2ALMNA
SCHEMBL5154408 0.86 SLC6A3 (0.40) PTGER4TSHRKMT2ALMNA
SCHEMBL5154407 0.86 SLC6A3 (0.40) PTGER4TSHRKMT2ALMNA
SCHEMBL5159871 0.85 ALDH1A1 (0.37) KMT2ALMNA

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-1236714-B1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE MITSUBISHI RAYON CO (JP) 2007-01-17 EP disclosed
US-6642395-B1 Esterifying mandelic acid derivative; protecting hydroxyl group and reducing ester; sulfonating and epoxidizing MITSUBISHI RAYON CO., LTD. (JP) 2003-11-04 US disclosed
EP-1236714-A1 ACETALSULFONATE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND PROCESS FOR PRODUCING STYRENE OXIDE DERIVATIVE Mitsubishi Rayon Co., Ltd. (JP) 2002-09-04 EP disclosed