SCHEMBL10458798

SCHEMBL10458798

CC(C)(C(=O)c1ccc2c(c1)CCc1cc(C(=O)C(C)(C)N3CCOCC3)ccc1O2)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.59
▸ SMN1; SMN2 Q16637 2/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HRH3 Q9Y5N1 1/20 0.41
▸ CYP2D6 P10635 1/20 0.40
▸ HSP90AA1 P07900 1/20 0.39
▸ HSP90AB1 P08238 1/20 0.39
▸ HPGD P15428 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ KDM4E B2RXH2 2/20 0.37
▸ L3MBTL1 Q9Y468 2/20 0.37
▸ MAPT P10636 2/20 0.37
▸ LMNA P02545 1/20 0.37
▸ PKM P14618 1/20 0.37
▸ NAMPT P43490 3/20 0.36
▸ TP53 P04637 1/20 0.35
▸ ALDH3A1 P30838 1/20 0.35
▸ HTT P42858 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
SCHEMBL10456875 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681596 0.86 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9679431 0.86 ALDH1A1 (0.55) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10458525 0.84 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681072 0.83 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681331 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL3667774 0.82 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL22355416 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9681170 0.81 TDP1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL10886205 0.80 ALDH1A1 (0.54) 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 4 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
EP-0117233-A1 Coloured photo-curable mouldings CIBA-GEIGY AG (CH) 1984-08-29 — — EP disclosed
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