SCHEMBL10717258

SCHEMBL10717258

CC(C)(C(=O)c1ccc2c(c1)Cc1ccccc1S2)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.49
▸ SMN1; SMN2 Q16637 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ BCHE P06276 1/20 0.39
▸ NAMPT P43490 2/20 0.37
▸ HRH3 Q9Y5N1 1/20 0.37
▸ LMNA P02545 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ ATM Q13315 3/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ L3MBTL1 Q9Y468 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
SCHEMBL10885245 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1BCHE
SCHEMBL10884968 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1BCHE
SCHEMBL9680486 0.87 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1BCHE
SCHEMBL10887887 0.82 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1BCHE
SCHEMBL23805897 0.82 SRD5A2 (0.52) ALDH1A1SMN1; SMN2TSHRMAPK1NAMPT
SCHEMBL12205867 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1NAMPT
SCHEMBL9681241 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1BCHE
SCHEMBL9681283 0.81 MAPK1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1BCHE
SCHEMBL9681596 0.80 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1NAMPT
SCHEMBL22355416 0.80 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1NAMPT

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-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 — — EP disclosed
Send feedback