SCHEMBL9681255

SCHEMBL9681255

CN(C)C(C)(C)C(=O)c1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.56
RAB9A P51151 3/20 0.56
NPC1 O15118 1/20 0.56
ALDH1A1 P00352 4/20 0.52
SRD5A2 P31213 2/20 0.50
ELANE P08246 4/20 0.49
ABCC9 O60706 2/20 0.46
ABCC8 Q09428 2/20 0.46
KCNJ11 Q14654 2/20 0.46
PDK1 Q15118 2/20 0.46
PDK2 Q15119 2/20 0.46
PDK3 Q15120 2/20 0.46
KCNJ8 Q15842 2/20 0.46
PDK4 Q16654 2/20 0.46
ABCB11 O95342 1/20 0.46
L3MBTL1 Q9Y468 2/20 0.45
ATM Q13315 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
MAPT P10636 2/20 0.44
MEN1 O00255 1/20 0.44

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
SCHEMBL58163 0.92 CES1 (0.50) HPGDRAB9ANPC1ALDH1A1TDP1
SCHEMBL10945414 0.92 HPGD (0.50) HPGDRAB9ANPC1ALDH1A1SRD5A2
SCHEMBL10941473 0.89 RAB9A (0.56) HPGDRAB9ANPC1CES1
SCHEMBL29242353 0.85 MAPT (0.52) HPGDRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL9681134 0.84 MAPT (0.68) HPGDRAB9ANPC1ALDH1A1TDP1
SCHEMBL14156791 0.81 SMN1; SMN2 (0.53) HPGDRAB9ANPC1ALDH1A1SRD5A2
SCHEMBL10943108 0.81 ALDH1A1 (0.56) HPGDRAB9ANPC1ALDH1A1SRD5A2
SCHEMBL10384767 0.81 HPGD (0.56) HPGDRAB9ANPC1ALDH1A1L3MBTL1
SCHEMBL17479953 0.80 ALDH1A1 (0.61) HPGDRAB9ANPC1ALDH1A1SRD5A2
SCHEMBL10947494 0.80 CES2 (0.44) HPGDRAB9AALDH1A1MAPTCES1

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