SCHEMBL7719201

SCHEMBL7719201

N[C@@H](Cc1ccc(O)cc1)C(=O)N(C(=O)c1ccccc1)c1ccc([N+](=O)[O-])cc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MC4R P32245 1/20 0.53
ALDH1A1 P00352 1/20 0.48
MMP2 P08253 2/20 0.47
SLC7A5 Q01650 2/20 0.46
CRHBP P24387 1/20 0.45
CRHR2 Q13324 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
NPC1 O15118 2/20 0.41
RAB9A P51151 2/20 0.41
TP53 P04637 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
PDK2 Q15119 1/20 0.40
PDK4 Q16654 1/20 0.40
CES2 O00748 1/20 0.40
CES1 P23141 1/20 0.40
ANPEP P15144 1/20 0.39
ERAP2 Q6P179 1/20 0.39
ERAP1 Q9NZ08 1/20 0.39
ALPI P09923 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
Tyrosine SCHEMBL27497255 0.80 SLC7A5 (0.69) MC4RMMP2SLC7A5ANPEPERAP2
SCHEMBL27355184 0.80 MC4R (0.56) MC4RALDH1A1MMP2SLC7A5CRHBP
Tyrosine SCHEMBL27459414 0.80 SLC7A5 (0.73) MC4RMMP2SLC7A5ALPIPKM
Tyrosine SCHEMBL8933182 0.80 SLC7A5 (0.73) MC4RMMP2SLC7A5ALPIPKM
SCHEMBL9706834 0.79 MC4R (0.51) MC4RMMP2CRHBPCRHR2MEN1
4-Nitrobenzoic Acid SCHEMBL11907095 0.77 SLC7A5 (0.63) MMP2SLC7A5MEN1KMT2AERAP2
4-Nitrobenzoic Acid SCHEMBL11907092 0.77 SLC7A5 (0.63) MMP2SLC7A5MEN1KMT2AERAP2
SCHEMBL30458511 0.75 SLC7A5 (0.47) MC4RALDH1A1SLC7A5MEN1KMT2A
SCHEMBL7717724 0.74 ALDH1A1 (0.44) MC4RALDH1A1MMP2CRHBPCRHR2
SCHEMBL22346178 0.74 ALDH1A1 (0.44) MC4RALDH1A1MMP2CRHBPCRHR2

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-6379599-B1 Process for the preparation of molecularly imprinted polymers useful for separation of enzymes COUNCIL OF SCIENTIFIC AND INDUSTRIAL RESEARCH (IN) 2002-04-30 US disclosed