SCHEMBL10944742

SCHEMBL10944742

CC(C)(C(=O)c1ccc2c(c1)C(=O)C(=O)c1ccccc1CC2)N1CCOCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 3/20 0.49
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ TSHR P16473 1/20 0.49
▸ MAPK1 P28482 1/20 0.49
▸ HPGD P15428 1/20 0.44
▸ CES1 P23141 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ MAPK14 Q16539 4/20 0.41
▸ LMNA P02545 2/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ L3MBTL1 Q9Y468 3/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 4/20 0.40
▸ GAA P10253 2/20 0.40
▸ NAMPT P43490 1/20 0.39
▸ APAF1 O14727 2/20 0.39
▸ CASP3 P42574 1/20 0.39
▸ SENP8 Q96LD8 1/20 0.39
▸ SENP7 Q9BQF6 1/20 0.39
▸ SENP6 Q9GZR1 1/20 0.39

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
SCHEMBL10944580 0.94 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10943297 0.93 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10941099 0.91 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9681708 0.91 SMN1; SMN2 (0.49) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9681137 0.89 ALDH1A1 (0.50) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10945183 0.88 CES1 (0.44) ALDH1A1SMN1; SMN2CES1KMT2AMAPK14
SCHEMBL10942634 0.87 ALDH1A1 (0.54) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10942591 0.85 HPGD (0.61) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL9679962 0.84 HPGD (0.62) ALDH1A1SMN1; SMN2TSHRMAPK1HPGD
SCHEMBL10943047 0.84 ALDH1A1 (0.54) 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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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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