SCHEMBL5080048

SCHEMBL5080048

CC1(O)C=CC=CC1C(=O)Nc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TOP2A P11388 1/20 0.43
SLC22A12 Q96S37 1/20 0.43
HDAC6 Q9UBN7 1/20 0.43
HPGD P15428 2/20 0.41
NAPRT Q6XQN6 1/20 0.41
HSD17B10 Q99714 1/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
MAPT P10636 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
POLB P06746 2/20 0.40
GAA P10253 2/20 0.40
GFER P55789 1/20 0.40
GLA P06280 1/20 0.39
TP53 P04637 1/20 0.39
EPHX1 P07099 1/20 0.39
TSHR P16473 1/20 0.39
EPHX2 P34913 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
SCHEMBL7765874 0.82 TOP2A (0.43) TOP2ASLC22A12HDAC6HPGDNAPRT
SCHEMBL27478753 0.82 TOP2A (0.43) TOP2ASLC22A12HDAC6HPGDNAPRT
SCHEMBL27510144 0.80 MEN1 (0.45) TOP2ASLC22A12HDAC6HPGDNAPRT
SCHEMBL28014454 0.76 NPC1 (0.42) HPGDNAPRTKMT2AMAPTSMN1; SMN2
SCHEMBL11163620 0.71 NAPRT (0.34) NAPRTHSD17B10MEN1KMT2AMAPT
SCHEMBL8414172 0.70 POLB (0.53) TOP2ASLC22A12HDAC6HPGDNAPRT
SCHEMBL10339863 0.69 HPGD (0.46) TOP2ASLC22A12HDAC6HPGDNAPRT
SCHEMBL11584096 0.69 TSHR (0.38) NAPRTHSD17B10MEN1KMT2AMAPT
SCHEMBL7172992 0.68 POLA1 (0.33) ALDH1A1
SCHEMBL28385912 0.68 TOP2A (0.39) TOP2ASLC22A12HDAC6HPGDNAPRT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1534657-B1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECH SARL (CH) 2008-10-08 EP disclosed
EP-1534657-A4 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECH SARL (US) 2006-08-02 EP disclosed
EP-1534657-A1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA Technologies S.à.r.l. (US) 2005-06-01 EP disclosed
WO-2004020381-A1 PROCESS FOR PREPARING ALDEHYDE COMPOUNDS INVISTA TECHNOLOGIES S.À.R.L. (US) 2004-03-11 WO disclosed
US-6664427-B1 From an unsaturated compound by hydroformylation and in the presence of a catalyst system comprising a Group VIII metal and a bidentate phosphorus ligand having two trivalent phosphorus atoms bound to salicylanilide groups E. I. DU PONT DE NEMOURS AND COMPANY 2003-12-16 US disclosed