SCHEMBL11264495

SCHEMBL11264495

COc1ccc(C)cc1OC.O=C(CS)NO

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.56
MEP1B Q16820 1/20 0.53
EPHX2 P34913 1/20 0.49
GAA P10253 1/20 0.48
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48
ALDH1A1 P00352 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48
CTNNB1 P35222 2/20 0.48
WNT3A P56704 2/20 0.48
ABL1 P00519 1/20 0.47
RIN1 Q13671 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSP90AA1 P07900 1/20 0.46
MAPT P10636 1/20 0.46
HTT P42858 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC3 O15379 1/20 0.45
HDAC1 Q13547 1/20 0.45

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
SCHEMBL11264090 0.79 MMP1 (0.53) ACHENPC1HDAC3HDAC1HDAC2
SCHEMBL7932275 0.78 SMN1; SMN2 (0.68) GAAALDH1A1L3MBTL1MAPTHTT
SCHEMBL11095964 0.78 ACHE (0.55) ACHEEPHX2GAAALDH1A1L3MBTL1
SCHEMBL12518 0.75 ACHE (1.00) ACHEGAANPC1RAB9AALDH1A1
SCHEMBL29403877 0.75 ACHE (1.00) ACHEGAANPC1RAB9AALDH1A1
SCHEMBL11269143 0.74 ALDH1A1 (0.50) MEP1BRAB9AALDH1A1KDM4EMAPT
SCHEMBL7930456 0.74 SMN1; SMN2 (0.66) EPHX2NPC1RAB9AALDH1A1L3MBTL1
Formaldehyde SCHEMBL28110221 0.73 ACHE (0.86) ACHENPC1RAB9AALDH1A1L3MBTL1
Hydrochloric Acid SCHEMBL27523444 0.73 ACHE (0.95) ACHEGAANPC1RAB9AALDH1A1
Ammonia Solution, Strong SCHEMBL27765317 0.73 ACHE (0.95) ACHEGAANPC1RAB9AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US claimed
US-4325964-A SEDATIVES, MUSCLE RELAXANTS, HYPOTENSIVE AGENTS LABORATOIRE L. LAFON (FR) 1982-04-20 US disclosed