SCHEMBL14540010

SCHEMBL14540010

CC(=O)NC1=CCCC(C(C)=O)=C1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 3/20 0.35
GAA P10253 3/20 0.35
ALOX15 P16050 2/20 0.35
PKM P14618 1/20 0.35
LMNA P02545 1/20 0.34
HTT P42858 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
NAPRT Q6XQN6 1/20 0.31
KMT2A Q03164 2/20 0.31
ALDH1A1 P00352 3/20 0.31
TDP1 Q9NUW8 2/20 0.31
MEN1 O00255 1/20 0.31
CA12 O43570 1/20 0.31
BRD4 O60885 1/20 0.31
NR1I2 O75469 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
MB P02144 1/20 0.31
CYP1A1 P04798 1/20 0.31

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
SCHEMBL23191901 0.79 TDP1 (0.35) HSD17B10GAAALOX15PKMLMNA
SCHEMBL13191926 0.79 LMNA (0.35) HSD17B10GAAALOX15PKMLMNA
SCHEMBL10895454 0.75
SCHEMBL14022575 0.72 PTPN1 (0.32)
SCHEMBL14021802 0.72
SCHEMBL17970221 0.71 LMNA (0.30) LMNATSHR
SCHEMBL19091658 0.71 CTSK (0.32)
SCHEMBL16270640 0.71 HDAC4 (0.31)
SCHEMBL16372323 0.69
SCHEMBL18951714 0.68 CHRNB2 (0.33)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1313725-B1 TRICYCLIC ANTITUMOR COMPOUNDS BEING FARNESYL PROTEIN TRANSFERASE INHIBITORS SCHERING CORP (US) 2007-04-11 EP disclosed