SCHEMBL19645211

SCHEMBL19645211

CCCCCC[C@](C)(CCCCC)C(C)CN

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SMPD1 P17405 2/20 0.39
FDPS P14324 2/20 0.39
DNM1 Q05193 9/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
ALDH1A1 P00352 1/20 0.39
TSHR P16473 1/20 0.39
EPHX1 P07099 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
SCHEMBL18823282 1.00 SMPD1 (0.39) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL19387369 0.98 SMPD1 (0.38) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL19687899 0.92 SMPD1 (0.37) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL13735176 0.89 SMPD1 (0.33) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL24027192 0.88 OPRM1 (0.34) SMPD1FDPSALDH1A1
SCHEMBL21230013 0.87 FDPS (0.33) FDPSALDH1A1
SCHEMBL12159929 0.76 OPRM1 (0.41) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL13960425 0.74 OPRM1 (0.39) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL19557514 0.74 OPRM1 (0.39) SMPD1FDPSDNM1MEN1KMT2A
SCHEMBL18823471 0.74 OPRM1 (0.39) SMPD1FDPSDNM1MEN1KMT2A

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-9828378-B2 Kinase inhibitors and methods of use INTELLIKINE LLC (US) 2017-11-28 US disclosed