SCHEMBL11386345

SCHEMBL11386345

Cc1cccc(Nc2ccsc2CC(=O)OCCOCCO)c1C

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 3/20 0.38
▸ KMT2A Q03164 3/20 0.38
▸ LMNA P02545 3/20 0.38
▸ TDP1 Q9NUW8 2/20 0.38
▸ CYP3A4 P08684 2/20 0.38
▸ CYP1A2 P05177 2/20 0.38
▸ CYP2C9 P11712 2/20 0.38
▸ AKR1B10 O60218 1/20 0.38
▸ TRPA1 O75762 1/20 0.38
▸ ABCB11 O95342 1/20 0.38
▸ DHFR P00374 1/20 0.38
▸ MPO P05164 1/20 0.38
▸ CHRM1 P11229 1/20 0.38
▸ AKR1B1 P15121 1/20 0.38
▸ PTGS1 P23219 1/20 0.38
▸ PTGS2 P35354 1/20 0.38
▸ AKR1C3 P42330 1/20 0.38
▸ AKR1C2 P52895 1/20 0.38
▸ AKR1C1 Q04828 1/20 0.38
▸ HIF1A Q16665 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
SCHEMBL11380719 0.81 PHGDH (0.30) —
SCHEMBL11351974 0.78 MEN1 (0.51) MEN1KMT2ALMNATDP1CYP3A4
SCHEMBL11371289 0.78 PTGS2 (0.38) MEN1KMT2ALMNATDP1CYP3A4
SCHEMBL13318490 0.70 PTGS2 (0.44) MEN1KMT2ALMNATDP1CYP3A4
SCHEMBL11374075 0.70 KMT2A (0.42) MEN1KMT2ALMNATDP1CYP2C9
SCHEMBL11380072 0.69 PTGS2 (0.52) MEN1KMT2ALMNATDP1CYP1A2
SCHEMBL11258911 0.69 L3MBTL1 (0.50) MEN1KMT2ATDP1CYP3A4CYP1A2
SCHEMBL11249841 0.69 L3MBTL1 (0.50) MEN1KMT2ATDP1CYP3A4CYP1A2
SCHEMBL11373706 0.68 CXCL8 (0.43) MEN1KMT2ALMNACYP2C9MAPT
SCHEMBL10310896 0.68 MT-CO2 (0.58) MEN1KMT2ALMNATDP1CYP3A4

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
US-4272507-A Phenylaminothiophenacetic acids, their synthesis, compositions and use BYK GULDEN LOMBERG CHEMISCHE FABRIK GMBH (DE) 1981-06-09 — — US disclosed
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