SCHEMBL9681241

SCHEMBL9681241

CC(C)(C(=O)c1ccc2c(c1)Oc1ccccc1S2)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.49
▸ ALDH1A1 P00352 3/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ BCHE P06276 1/20 0.39
▸ HRH3 Q9Y5N1 1/20 0.37
▸ KDM4E B2RXH2 2/20 0.37
▸ PRKDC P78527 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ HSP90AA1 P07900 1/20 0.34
▸ HSP90AB1 P08238 1/20 0.34
▸ CNR1 P21554 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34

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
SCHEMBL10886205 0.94 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL9680486 0.87 SMN1; SMN2 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL10887887 0.82 ALDH1A1 (0.58) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL10717258 0.81 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL10456875 0.81 ALDH1A1 (0.59) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL9681283 0.81 MAPK1 (0.58) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL10885245 0.79 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL10884968 0.79 ALDH1A1 (0.49) SMN1; SMN2ALDH1A1TSHRMAPK1BCHE
SCHEMBL10458525 0.78 ALDH1A1 (0.56) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3
SCHEMBL9681596 0.78 SMN1; SMN2 (0.50) SMN1; SMN2ALDH1A1TSHRMAPK1HRH3

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-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 — — US disclosed
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