SCHEMBL20204611

SCHEMBL20204611

CCC(C)(C)c1ccc(O)[nH]c1=O

nearest known ligand 0.38

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MAPK1 P28482 2/20 0.31
▸ SMN1; SMN2 Q16637 2/20 0.31
▸ NPC1 O15118 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ CASP3 P42574 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ SENP8 Q96LD8 1/20 0.31
▸ SENP7 Q9BQF6 1/20 0.31
▸ SENP6 Q9GZR1 1/20 0.31
▸ MEN1 O00255 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ KMT2A Q03164 1/20 0.31
▸ NPSR1 Q6W5P4 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
SCHEMBL19195022 0.79 HMBS (0.37) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL20374478 0.75 HPGD (0.31) MAPK1ATMNPSR1
SCHEMBL12119416 0.68 ADRB2 (0.52) SMN1; SMN2LMNAMEN1KMT2A
SCHEMBL22038840 0.68 ATAD2 (0.45) SMN1; SMN2LMNAALDH1A1
SCHEMBL14163824 0.68 LMNA (0.32) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL18800357 0.68 DAO (0.41) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL12943015 0.67 GABRA1 (0.46) MAPK1SMN1; SMN2ATMMEN1ALDH1A1
SCHEMBL13462923 0.67 PDE3B (0.33) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL26265738 0.67 ERCC1 (0.36) MAPK1SMN1; SMN2NPC1LMNACASP3
SCHEMBL28901167 0.65 WEE1 (0.36) MAPK1SMN1; SMN2NPC1LMNACASP3

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
WO-2018098209-A1 AMINO SULFONYL COMPOUNDS CV6 THERAPEUTICS (NI) LIMITED (GB) 2018-05-31 — — WO disclosed
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