SCHEMBL10942691

SCHEMBL10942691

CC(C)(C(=O)c1ccc2c(c1)C(=O)C(=O)c1cc(C(=O)C(C)(C)N3CCCCC3)ccc1CC2)N1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MITF O75030 1/20 0.40
▸ MAPK14 Q16539 1/20 0.39
▸ ALDH1A1 P00352 4/20 0.38
▸ MAPK1 P28482 3/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ GAA P10253 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ HPGD P15428 1/20 0.37
▸ CNR2 P34972 3/20 0.36
▸ CNR1 P21554 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ ATM Q13315 1/20 0.36
▸ TP53 P04637 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
SCHEMBL10945183 0.94 CES1 (0.44) SMN1; SMN2MAPK14ALDH1A1NPC1GAA
SCHEMBL10940145 0.92 MAPK14 (0.45) SMN1; SMN2MITFMAPK14ALDH1A1NPC1
SCHEMBL10941113 0.92 ALDH1A1 (0.38) SMN1; SMN2MITFALDH1A1MAPK1NPC1
SCHEMBL10943467 0.89 ALDH1A1 (0.41) SMN1; SMN2MITFMAPK14ALDH1A1MAPK1
SCHEMBL10944580 0.86 ALDH1A1 (0.54) SMN1; SMN2MAPK14ALDH1A1MAPK1NPC1
SCHEMBL10943941 0.86 L3MBTL1 (0.44) ALDH1A1NPC1GAARAB9AL3MBTL1
SCHEMBL10944726 0.86 ALDH1A1 (0.52) SMN1; SMN2ALDH1A1MAPK1NPC1GAA
SCHEMBL10943943 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1NPC1GAA
SCHEMBL10948642 0.84 ALDH1A1 (0.54) SMN1; SMN2ALDH1A1MAPK1NPC1GAA
SCHEMBL10947824 0.83 L3MBTL1 (0.45) ALDH1A1NPC1GAARAB9AL3MBTL1

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
Send feedback