SCHEMBL8922383

SCHEMBL8922383

COC(=O)[C@H](CC(C)C)N(Cc1ccc(OC)cc1)C(=O)CC(C)(C)C

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.43
ANPEP P15144 2/20 0.41
TAS1R3 Q7RTX0 1/20 0.41
TAS1R1 Q7RTX1 1/20 0.41
HTT P42858 3/20 0.40
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MMP1 P03956 4/20 0.39
MMP3 P08254 3/20 0.39
ADAM17 P78536 3/20 0.39
MMP9 P14780 2/20 0.39
TDP1 Q9NUW8 1/20 0.39
TSHR P16473 1/20 0.38
PSEN1 P49768 1/20 0.38
PSEN2 P49810 1/20 0.38
APH1B Q8WW43 1/20 0.38
NCSTN Q92542 1/20 0.38
APH1A Q96BI3 1/20 0.38
PSENEN Q9NZ42 1/20 0.38
YAP1 P46937 1/20 0.38

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
SCHEMBL20447205 0.86 ALDH1A1 (0.54) ATMANPEPTAS1R3TAS1R1HTT
SCHEMBL25252107 0.73 SMN1; SMN2 (0.57) HTTALDH1A1SMN1; SMN2TDP1YAP1
SCHEMBL13396259 0.73 SMN1; SMN2 (0.57) HTTALDH1A1SMN1; SMN2TDP1YAP1
SCHEMBL18997618 0.73 SMN1; SMN2 (0.68) HTTALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL26618380 0.71 ALDH1A1 (0.49) HTTALDH1A1SMN1; SMN2TDP1BMP1
SCHEMBL26618376 0.71 ALDH1A1 (0.49) HTTALDH1A1SMN1; SMN2TDP1BMP1
SCHEMBL4573265 0.71 ALDH1A1 (0.41) HTTALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL4573275 0.71 ALDH1A1 (0.41) HTTALDH1A1SMN1; SMN2TDP1TSHR
SCHEMBL7363231 0.70 LDHA (0.50) ANPEPHTTALDH1A1SMN1; SMN2TDP1
SCHEMBL7363227 0.70 LDHA (0.50) ANPEPHTTALDH1A1SMN1; SMN2TDP1

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
US-5624928-A Method of synthesizing an endonuclease inhibitor and analogs thereof MERCK & CO., INC. (US) 1997-04-29 US disclosed