SCHEMBL8035867

SCHEMBL8035867

COC(OC)(c1ccccc1)C(N)OC(=O)c1ccccc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 1/20 0.46
TSHR P16473 3/20 0.46
TP53 P04637 1/20 0.46
MAPT P10636 4/20 0.43
TDP1 Q9NUW8 2/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PDCD1 Q15116 1/20 0.41
CD274 Q9NZQ7 1/20 0.41
TNF P01375 1/20 0.41
KLF5 Q13887 1/20 0.41
NOD1 Q9Y239 1/20 0.41
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
KMT2A Q03164 3/20 0.40
MEN1 O00255 2/20 0.40
POLB P06746 2/20 0.40
ALDH1A1 P00352 4/20 0.40
LMNA P02545 3/20 0.40
HTT P42858 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40

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
SCHEMBL12977332 0.74 TSHR (0.57) TSHRTP53MAPTTDP1L3MBTL1
SCHEMBL601643 0.72 TSHR (0.59) TSHRTP53MAPTTDP1PDCD1
SCHEMBL7691954 0.72 CES1 (0.44) CES1MAPTKMT2APOLBALDH1A1
SCHEMBL23777037 0.72 TSHR (0.59) TSHRTP53MAPTTDP1PDCD1
SCHEMBL1200862 0.72 TSHR (0.63) CES1TSHRTP53MAPTTDP1
SCHEMBL1507630 0.71 CYP2D6 (0.42) CES1TSHRMAPTKMT2ALMNA
SCHEMBL11474021 0.71 TSHR (0.57) TSHRTP53MAPTTDP1PDCD1
SCHEMBL490866 0.71 CES1 (0.47) CES1TSHRMAPTKMT2APOLB
SCHEMBL11505949 0.69 TSHR (0.55) TSHRTP53MAPTTDP1L3MBTL1
SCHEMBL29134108 0.69 TSHR (0.55) TSHRTP53MAPTPDCD1CD274

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-6127381-A A MELANOCORTIN RECEPTOR LIGAND FOR REGULATING FOOD INTAKE AND BODY WEIGHT, REGULATING CYTOKINE ACTIVITY, ANTI-INFLAMMATORY ACTIVITY LION BIOSCIENCE AG (DE) 2000-10-03 US disclosed