SCHEMBL10458525

SCHEMBL10458525

CC(C)(C(=O)c1ccc2c(c1)Oc1cc(C(=O)C(C)(C)N3CCOCC3)ccc1C2)N1CCOCC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.56
▸ SMN1; SMN2 Q16637 2/20 0.56
▸ TSHR P16473 1/20 0.56
▸ MAPK1 P28482 1/20 0.56
▸ HRH3 Q9Y5N1 1/20 0.41
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ TP53 P04637 2/20 0.38
▸ MAPT P10636 2/20 0.38
▸ ALDH3A1 P30838 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ NPC1 O15118 2/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ LMNA P02545 3/20 0.36
▸ NAMPT P43490 1/20 0.35
▸ MEN1 O00255 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
SCHEMBL10456875 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681596 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL22355416 0.86 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458798 0.84 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10942634 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10943047 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10886205 0.83 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL3667774 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681072 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL23805897 0.81 SRD5A2 (0.52) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4900823-A PHOTOINITIATORS FOR PHOTOCURING CIBA-GEIGY CORPORATION (US) 1990-02-13 — — US disclosed
US-4739052-A PHOTOINITIATORS CIBA-GEIGY CORPORATION (US) 1988-04-19 — — US disclosed
US-4559371-A FOR PRINTING INKS AND PAINTS CIBA GEIGY CORPORATION (US) 1985-12-17 — — US disclosed
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