SCHEMBL9680985

SCHEMBL9680985

CC(C)(C(=O)C1=CC=C2C(=Cc3cc(C(=O)C(C)(C)N4CCOCC4)ccc32)C1=O)N1CCOCC1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 5/20 0.46
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ TSHR P16473 1/20 0.46
▸ MAPK1 P28482 1/20 0.46
▸ APAF1 O14727 3/20 0.36
▸ MAPT P10636 3/20 0.36
▸ POLB P06746 2/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HRH3 Q9Y5N1 1/20 0.35
▸ HPGD P15428 1/20 0.34
▸ NPC1 O15118 1/20 0.33
▸ RAB9A P51151 1/20 0.33
▸ L3MBTL1 Q9Y468 2/20 0.33
▸ GAA P10253 1/20 0.33
▸ CASP3 P42574 1/20 0.33
▸ SENP8 Q96LD8 1/20 0.33
▸ SENP7 Q9BQF6 1/20 0.33
▸ SENP6 Q9GZR1 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ HSP90AA1 P07900 1/20 0.32

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
SCHEMBL10948647 0.89 SMN1; SMN2 (0.34) ALDH1A1SMN1; SMN2TSHRMAPK1POLB
SCHEMBL9680480 0.86 ALDH1A1 (0.40) ALDH1A1SMN1; SMN2TSHRMAPK1APAF1
SCHEMBL10941709 0.78 PTPRC (0.30) —
SCHEMBL9680983 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1APAF1
SCHEMBL9680469 0.76 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2TSHRMAPK1APAF1
SCHEMBL10945947 0.75 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2TSHRMAPK1APAF1
SCHEMBL10947560 0.75 — —
SCHEMBL10948633 0.75 — —
SCHEMBL9680423 0.74 CYP2B6 (0.35) ALDH1A1SMN1; SMN2TSHRAPAF1MAPT
SCHEMBL9679962 0.73 HPGD (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1APAF1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5145885-A Morpholine compound, binders CIBA-GEIGY CORPORATION (US) 1992-09-08 — — US disclosed
US-4992547-A Aminoaryl ketone photoinitiators CIBA-GEIGY CORPORATION (US) 1991-02-12 — — US disclosed
EP-0138754-B1 PHOTOCURABLE COMPOSITIONS CIBA-GEIGY AG (CH) 1988-05-25 — — EP disclosed
EP-0138754-A2 Photocurable compositions CIBA-GEIGY AG (CH) 1985-04-24 — — EP disclosed
US-4496447-A PHOTOPOLYMERIZATION OF UNSATURATED COMPOUNDS AND FOR CURING PRINTING INKS MERCK PATENT GESELLSCHAFT MIT BESCHRAENKTER HAFTUNG (DE) 1985-01-29 — — US disclosed
US-4374984-A Aromatic-aliphatic ketones useful as photoinitiators MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1983-02-22 — — US disclosed
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