SCHEMBL6049231

SCHEMBL6049231

CC(C)(C)OC(=O)N1CCCC1c1cc(NS(=O)(=O)C(F)(F)F)ccc1Oc1ccc(OC(F)(F)F)cc1

nearest known ligand 0.41

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ EPHX2 P34913 8/20 0.41
▸ LIPE Q05469 2/20 0.41
▸ MEN1 O00255 1/20 0.41
▸ KMT2A Q03164 1/20 0.41
▸ NPC1 O15118 1/20 0.38
▸ PTPN1 P18031 2/20 0.38
▸ GPR119 Q8TDV5 1/20 0.38
▸ MAPT P10636 2/20 0.37
▸ TP53 P04637 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ BRD4 O60885 1/20 0.37
▸ SCD5 Q86SK9 1/20 0.37
▸ STS P08842 1/20 0.36

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
SCHEMBL7170392 0.89 EPHX2 (0.42) EPHX2LIPEKMT2APTPN1MAPT
SCHEMBL6049200 0.82 KIF11 (0.45) EPHX2LIPEKMT2AMAPTBRD4
SCHEMBL30596308 0.75 SCD5 (0.54) EPHX2LIPENPC1GPR119SCD5
Hydrochloric Acid SCHEMBL6049206 0.73 PTPN1 (0.43) EPHX2MEN1KMT2APTPN1BRD4
SCHEMBL6049181 0.73 SLC6A4 (0.52) EPHX2MAPT
SCHEMBL2645354 0.73 GPR119 (0.48) MEN1KMT2AGPR119
SCHEMBL6049210 0.71 SCD5 (0.38) EPHX2BRD4SCD5
SCHEMBL6049230 0.71 PTPN1 (0.38) EPHX2PTPN1MAPTBRD4
SCHEMBL2645042 0.70 GCK (0.47) MEN1KMT2AGPR119
SCHEMBL28660312 0.68 HSP90AA1 (0.47) NPC1SMN1; SMN2SCD5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1184372-B1 Phenoxyphenylheterocycle derivatives as selective serotonin reuptake inhibitors (SSRIs) PFIZER LTD (GB) 2006-04-26 — — EP disclosed
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