SCHEMBL10885245

SCHEMBL10885245

CC(C)(C(=O)c1ccc2c(c1)Cc1cc(C(=O)C(C)(C)N3CCOCC3)ccc1S2)N1CCOCC1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.54
▸ TSHR P16473 1/20 0.54
▸ MAPK1 P28482 1/20 0.54
▸ SMN1; SMN2 Q16637 1/20 0.54
▸ HRH3 Q9Y5N1 1/20 0.40
▸ KDM4E B2RXH2 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HSP90AA1 P07900 1/20 0.38
▸ HSP90AB1 P08238 1/20 0.38
▸ CYP2D6 P10635 1/20 0.36
▸ ALOX15 P16050 1/20 0.35
▸ ATM Q13315 3/20 0.35
▸ HPGD P15428 1/20 0.35
▸ BCHE P06276 1/20 0.35
▸ NPC1 O15118 1/20 0.34
▸ RAB9A P51151 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ LMNA P02545 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
SCHEMBL10717258 0.94 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10887887 0.88 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10884968 0.87 ALDH1A1 (0.49) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL22355416 0.85 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10886205 0.84 ALDH1A1 (0.54) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL9680486 0.84 SMN1; SMN2 (0.54) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL3667774 0.81 ALDH1A1 (0.59) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10887268 0.80 ALDH1A1 (0.50) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL10458525 0.80 ALDH1A1 (0.56) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3
SCHEMBL9681072 0.80 ALDH1A1 (0.58) ALDH1A1TSHRMAPK1SMN1; SMN2HRH3

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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