SCHEMBL7357017

SCHEMBL7357017

CCCCOC(=O)C(N)(O)c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.50
TDP1 Q9NUW8 2/20 0.50
L3MBTL1 Q9Y468 2/20 0.50
ALDH1A1 P00352 3/20 0.48
HSD17B10 Q99714 2/20 0.48
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
POLB P06746 1/20 0.47
CHRM2 P08172 4/20 0.46
CHRM1 P11229 4/20 0.46
CHRM3 P20309 4/20 0.46
CHRM4 P08173 2/20 0.46
CYP3A4 P08684 5/20 0.46
MAPK1 P28482 2/20 0.46
TP53 P04637 1/20 0.45
CYP2D6 P10635 3/20 0.45
LMNA P02545 3/20 0.45
CYP1A2 P05177 2/20 0.45
CYP2C9 P11712 2/20 0.45
CYP2C19 P33261 2/20 0.45

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
SCHEMBL28137293 0.86 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL5161453 0.84 MEN1 (0.64) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL27340330 0.84 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL6893556 0.83 TSHR (0.49) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL28485015 0.83 TSHR (0.51) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL8168380 0.82 KCNN4 (0.55) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL28558105 0.82 TSHR (0.54) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL27902505 0.81 TSHR (0.50) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL2418304 0.81 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1HSD17B10
SCHEMBL14258113 0.81 TSHR (0.53) TSHRTDP1L3MBTL1ALDH1A1HSD17B10

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
EP-0846127-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY Novartis AG (CH) 1998-06-10 EP disclosed
WO-1997008193-A1 ACYLATED OLIGOPEPTIDE DERIVATIVES HAVING CELL SIGNAL INHIBITING ACTIVITY NOVARTIS AG (CH) 1997-03-06 WO disclosed