SCHEMBL10887887

SCHEMBL10887887

CC(C)(C(=O)c1ccc2c(c1)Sc1cc(C(=O)C(C)(C)N3CCOCC3)ccc1S2)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ HRH3 Q9Y5N1 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ HPGD P15428 2/20 0.37
▸ BCHE P06276 1/20 0.37
▸ NPC1 O15118 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ LMNA P02545 2/20 0.36
▸ MAPT P10636 1/20 0.36
▸ PKM P14618 2/20 0.36
▸ ALOX15 P16050 2/20 0.35
▸ PHGDH O43175 1/20 0.35
▸ MGLL Q99685 1/20 0.35

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
SCHEMBL9680486 0.96 SMN1; SMN2 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10886205 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10885245 0.88 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10885448 0.84 ALDH1A1 (0.53) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681241 0.82 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10884968 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10717258 0.82 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL19268226 0.82 BCHE (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1KDM4E
SCHEMBL9681283 0.81 MAPK1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL9679519 0.79 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3

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-4582862-A QUICK-SETTING PRINTING INKS BASED ON ACRYLATED RESINS CIBA-GEIGY CORPORATION (US) 1986-04-15 — — US disclosed
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