SCHEMBL19083663

SCHEMBL19083663

CC1CCC(C(=O)NCCS)CC1

nearest known ligand 0.47

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.42
NAAA Q02083 1/20 0.42
KMT2A Q03164 1/20 0.41
ALDH1A1 P00352 2/20 0.40
HSD17B10 Q99714 2/20 0.40
GNAI3 P08754 1/20 0.39
GNAO1 P09471 1/20 0.39
GNAI1 P63096 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39
OPRM1 P35372 1/20 0.39
MAPK1 P28482 1/20 0.36

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
SCHEMBL10050310 0.90
SCHEMBL12224196 0.82 NAAA (0.51) POLBNAAAKMT2AALDH1A1HSD17B10
SCHEMBL17208374 0.82 NAAA (0.51) POLBNAAAKMT2AALDH1A1HSD17B10
SCHEMBL16727379 0.82 NAAA (0.43) POLBNAAAKMT2AALDH1A1HSD17B10
SCHEMBL15199112 0.82 NAAA (0.51) POLBNAAAKMT2AALDH1A1HSD17B10
SCHEMBL14327357 0.82 NAAA (0.43) POLBNAAAKMT2AALDH1A1HSD17B10
SCHEMBL16727370 0.81 POLB (0.53) POLBNAAAKMT2AALDH1A1HSD17B10
SCHEMBL23595437 0.80 NAAA (0.58) NAAAKMT2AHSD17B10SMN1; SMN2
SCHEMBL19093034 0.79 NAAA (0.62) NAAAKMT2AALDH1A1GNAI3GNAO1
SCHEMBL15431471 0.79 NAAA (0.49) POLBNAAAKMT2AGNAI3GNAO1

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-2017117275-A1 SILICA NANOPARTICLE WITH PLATINUM ANTI-CANCER AGENT CITY OF HOPE (US) 2017-07-06 WO disclosed