SCHEMBL10458497

SCHEMBL10458497

CC(C)(C(=O)c1ccc2oc3ccc(C(=O)C(C)(C)N4CCOCC4)cc3c2c1)N1CCOCC1

nearest known ligand 0.58

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.58
▸ SMN1; SMN2 Q16637 3/20 0.58
▸ TSHR P16473 1/20 0.58
▸ MAPK1 P28482 1/20 0.58
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ KDM4E B2RXH2 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HSP90AA1 P07900 1/20 0.40
▸ HSP90AB1 P08238 1/20 0.40
▸ CYP2D6 P10635 1/20 0.38
▸ NPC1 O15118 4/20 0.38
▸ RAB9A P51151 3/20 0.38
▸ PRKDC P78527 1/20 0.37
▸ TP53 P04637 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ KMT2A Q03164 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL9681099 0.94 SMN1; SMN2 (0.52) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL10943728 0.93 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL10944254 0.93 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL9680462 0.88 NPC1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL10942167 0.88 NPC1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL10456874 0.84 ALDH1A1 (0.44) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL14582452 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL4206450 0.82 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL10456875 0.81 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1
SCHEMBL10941375 0.81 NPC1 (0.48) ALDH1A1SMN1; SMN2TSHRMAPK1L3MBTL1

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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