SCHEMBL14103242

SCHEMBL14103242

CCCCCCCCCCCC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC(=O)NCc1ccncc1)C(=O)NCc1ccncc1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.47
▸ MAPT P10636 1/20 0.47
▸ MAPK1 P28482 1/20 0.47
▸ EPHX2 P34913 2/20 0.46
▸ MMP9 P14780 2/20 0.46
▸ MMP8 P22894 1/20 0.46
▸ PSMB5 P28074 2/20 0.46
▸ NPY1R P25929 3/20 0.44
▸ NPY4R P50391 3/20 0.44
▸ NPY5R Q15761 3/20 0.44
▸ NPY2R P49146 1/20 0.44
▸ KISS1R Q969F8 1/20 0.43
▸ TRPV1 Q8NER1 1/20 0.43
▸ MMP3 P08254 1/20 0.43
▸ HDAC4 P56524 1/20 0.42
▸ EP300 Q09472 1/20 0.42
▸ MEF2D Q14814 1/20 0.42
▸ HTR1A P08908 1/20 0.42
▸ DRD2 P14416 1/20 0.42
▸ FAAH O00519 2/20 0.42

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
SCHEMBL14103239 0.89 EPHX2 (0.49) LMNAMAPTMAPK1EPHX2MMP9
SCHEMBL14102634 0.89 CAPN1 (0.49) LMNAMAPTMAPK1EPHX2MMP9
SCHEMBL14102639 0.89 EPHX2 (0.49) LMNAMAPTMAPK1EPHX2MMP9
SCHEMBL14102636 0.89 EPHX2 (0.49) LMNAMAPTMAPK1EPHX2MMP9
SCHEMBL14103244 0.83 EPHX2 (0.53) EPHX2NPY1RFAAH
SCHEMBL18328442 0.78 EPHX2 (0.72) MAPTEPHX2TRPV1FAAHALDH1A1
SCHEMBL14102773 0.78 EPHX2 (0.72) MAPTEPHX2TRPV1FAAHALDH1A1
SCHEMBL12980257 0.78 EPHX2 (0.72) MAPTEPHX2TRPV1FAAHALDH1A1
SCHEMBL14102597 0.78 SIRT2 (0.47) EPHX2
SCHEMBL14102771 0.77 EPHX2 (0.53) LMNAMAPTMAPK1EPHX2TRPV1

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
WO-2008102127-A2 GEL FORMING COMPOUNDS PLIVA HRVATSKA D.O.O. (HR) 2008-08-28 — — WO disclosed
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