SCHEMBL20144561

SCHEMBL20144561

CN(CCNC(=O)C(C)(CC(C)(C)C)C(C)(C)C)C(=O)C1CCCCC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CTSB P07858 1/20 0.35
CTSS P25774 1/20 0.35
CTSK P43235 1/20 0.35
TAAR1 Q96RJ0 3/20 0.32
SCN9A Q15858 1/20 0.31
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
HSD17B10 Q99714 1/20 0.30

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
SCHEMBL19142007 0.86 CTSB (0.35) CTSBCTSSCTSKTAAR1ALDH1A1
SCHEMBL18757058 0.84 CTSB (0.34) CTSBCTSSCTSKTAAR1ALDH1A1
SCHEMBL10110671 0.81 CTSB (0.37) CTSBCTSSCTSKTAAR1
SCHEMBL20144650 0.81 TAAR1 (0.46) TAAR1ALDH1A1LMNAHSD17B10
SCHEMBL18757026 0.81 TAAR1 (0.41) CTSBCTSSCTSKTAAR1ALDH1A1
SCHEMBL20144587 0.77 TAAR1 (0.32) TAAR1ALDH1A1HSD17B10
SCHEMBL13133276 0.73 PEPD (0.38) CTSBCTSSCTSKALDH1A1LMNA
SCHEMBL12310688 0.71 TAAR1 (0.38) CTSBCTSSCTSKTAAR1ALDH1A1
SCHEMBL18757213 0.69 EPHX2 (0.31)
SCHEMBL18757137 0.68 TAAR1 (0.48) TAAR1ALDH1A1LMNAHSD17B10

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
EP-2102708-B1 CURABLE COMPOSITION, COLOR FILTER, AND MANUFACTURING METHOD OF THE SAME FUJIFILM CORP (JP) 2018-05-16 EP disclosed