SCHEMBL7755341

SCHEMBL7755341

COC(=O)CCC(=O)Nc1ccc(N)cc1C(=O)c1ccccc1

nearest known ligand 0.63

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.56
ALDH1A1 P00352 7/20 0.49
POLB P06746 1/20 0.49
SMN1; SMN2 Q16637 3/20 0.48
CYP1A2 P05177 2/20 0.48
CYP2C19 P33261 2/20 0.48
TP53 P04637 1/20 0.48
GAA P10253 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C9 P11712 1/20 0.48
LMNA P02545 3/20 0.48
KDM4E B2RXH2 1/20 0.48
PKM P14618 1/20 0.47
GLA P06280 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
MAPT P10636 2/20 0.46
HSD17B10 Q99714 1/20 0.46
HTT P42858 1/20 0.46

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
SCHEMBL7753891 0.82 ABCB1 (0.57) MAPK1ALDH1A1POLBSMN1; SMN2GAA
SCHEMBL7753943 0.81 MEN1 (0.58) MAPK1ALDH1A1GAALMNAMAPT
SCHEMBL6546897 0.80 MEN1 (0.52) MAPK1ALDH1A1POLBKDM4EPKM
SCHEMBL6812211 0.79 CASP1 (0.57) ALDH1A1POLBSMN1; SMN2CYP1A2CYP2C19
SCHEMBL7752909 0.77 MAPT (0.68) MAPK1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL6546175 0.77 PKM (0.55) ALDH1A1LMNAPKM
SCHEMBL31541226 0.77 MAPT (0.58) ALDH1A1POLBCYP1A2CYP2C19TP53
SCHEMBL16624687 0.77 ALDH1A1 (0.55) MAPK1ALDH1A1SMN1; SMN2CYP1A2CYP2C19
SCHEMBL7754219 0.76 MEN1 (0.51)
SCHEMBL14916767 0.75 SMN1; SMN2 (0.68) MAPK1ALDH1A1POLBSMN1; SMN2CYP1A2

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-1068176-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS Jomaa, Hassan (DE) 2001-01-17 EP disclosed
WO-2000027803-A1 CYSTEINE AMIDES AS FARNESYL TRANSFERASE INHIBITORS JOMAA, HASSAN (DE) 2000-05-18 WO disclosed