SCHEMBL10456875

SCHEMBL10456875

CC(C)(C(=O)c1ccc2c(c1)Oc1cc(C(=O)C(C)(C)N3CCOCC3)ccc1O2)N1CCOCC1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.59
▸ SMN1; SMN2 Q16637 3/20 0.59
▸ TSHR P16473 1/20 0.59
▸ MAPK1 P28482 1/20 0.59
▸ HPGD P15428 2/20 0.43
▸ HRH3 Q9Y5N1 1/20 0.43
▸ KDM4E B2RXH2 3/20 0.41
▸ HSP90AA1 P07900 1/20 0.41
▸ HSP90AB1 P08238 1/20 0.41
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TP53 P04637 2/20 0.40
▸ HTT P42858 2/20 0.40
▸ MAPT P10636 2/20 0.40
▸ ALDH3A1 P30838 1/20 0.40
▸ CYP2D6 P10635 1/20 0.39
▸ NPC1 O15118 5/20 0.39
▸ RAB9A P51151 4/20 0.39
▸ CNR1 P21554 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ CTNNB1 P35222 1/20 0.37

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
SCHEMBL10458525 0.87 ALDH1A1 (0.56) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10458798 0.87 ALDH1A1 (0.59) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10886205 0.86 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9681136 0.86 HPGD (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9681596 0.82 SMN1; SMN2 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10458497 0.81 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9681241 0.81 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HRH3
SCHEMBL9680429 0.81 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9679519 0.81 SMN1; SMN2 (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10940747 0.80 SMN1; SMN2 (0.72) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD

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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