SCHEMBL10944755

SCHEMBL10944755

CC(C)(C(=O)c1ccc2[nH]c3ccc(C(=O)C(C)(C)N4CCCCC4)cc3c(=O)c2c1)N1CCCCC1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.49
▸ NPC1 O15118 1/20 0.49
▸ RAB9A P51151 1/20 0.49
▸ GFER P55789 1/20 0.49
▸ HSD17B10 Q99714 4/20 0.46
▸ KDM4E B2RXH2 4/20 0.46
▸ ALDH1A1 P00352 4/20 0.46
▸ HPGD P15428 1/20 0.46
▸ ALOX15 P16050 1/20 0.46
▸ CASP1 P29466 1/20 0.46
▸ TERT O14746 5/20 0.44
▸ PTGS2 P35354 1/20 0.42
▸ KMT2A Q03164 2/20 0.41
▸ ALOX12 P18054 1/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ IMPDH2 P12268 1/20 0.40
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ KIF11 P52732 1/20 0.39
▸ PARP1 P09874 1/20 0.39
▸ APEX1 P27695 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
SCHEMBL10945207 0.97 SMN1; SMN2 (0.49) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL10947113 0.94 IMPDH2 (0.49) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL10946433 0.91 IMPDH2 (0.46) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL10942847 0.87 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL10947125 0.84 ALDH1A1 (0.53) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL9679951 0.82 ALDH1A1 (0.48) SMN1; SMN2NPC1KDM4EALDH1A1HPGD
SCHEMBL10943648 0.81 KDM4E (0.40) SMN1; SMN2NPC1RAB9AGFERKDM4E
SCHEMBL10945982 0.81 SMN1; SMN2 (0.38) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL10941375 0.81 NPC1 (0.48) SMN1; SMN2NPC1RAB9AGFERHSD17B10
SCHEMBL14582452 0.80 ALDH1A1 (0.57) SMN1; SMN2NPC1RAB9AGFERKDM4E

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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