SCHEMBL11764243

SCHEMBL11764243

CCc1ccc(NC(=O)c2cc(C(C)(C)C)ccc2S)cc1

nearest known ligand 0.58

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ PLG P00747 2/20 0.58
▸ KLK1 P06870 2/20 0.58
▸ KLK6 Q92876 2/20 0.58
▸ KLKB1 P03952 1/20 0.58
▸ NR1H4 Q96RI1 6/20 0.54
▸ MAPT P10636 4/20 0.50
▸ RAB9A P51151 3/20 0.50
▸ ALDH1A1 P00352 2/20 0.49
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ NPC1 O15118 2/20 0.49
▸ LMNA P02545 2/20 0.46
▸ TRPV1 Q8NER1 1/20 0.46
▸ MAOA P21397 1/20 0.44
▸ MAOB P27338 1/20 0.44
▸ SRC P12931 1/20 0.44

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
SCHEMBL7301317 0.79 NR1H4 (0.73) NR1H4MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL11759876 0.76 KCNK3 (0.59) NR1H4RAB9AALDH1A1SMN1; SMN2NPC1
SCHEMBL12264103 0.75 RAB9A (0.65) NR1H4MAPTRAB9ASMN1; SMN2NPC1
SCHEMBL1496348 0.75 CA12 (0.58) NR1H4RAB9ASMN1; SMN2NPC1TRPV1
SCHEMBL9083120 0.74 NR1H4 (0.60) PLGKLK1KLK6KLKB1NR1H4
Hydrochloric Acid SCHEMBL22975362 0.73 PLG (1.00) PLGKLK1KLK6KLKB1NR1H4
SCHEMBL7292373 0.72 NR1H4 (0.55) NR1H4RAB9ASMN1; SMN2NPC1TRPV1
SCHEMBL11764247 0.72 PLG (0.56) PLGKLK1KLK6KLKB1NR1H4
SCHEMBL28566157 0.70 SIRT1 (0.62) NR1H4MAPTRAB9AALDH1A1SMN1; SMN2
SCHEMBL11758289 0.70 MEN1 (0.49) NR1H4MAPTRAB9AALDH1A1SMN1; SMN2

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-4008274-A ANTIFOULING YOSHITOMI PHARMACEUTICAL INDUSTRIES, LTD. (JA) 1977-02-15 — — US disclosed
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