SCHEMBL23903005

SCHEMBL23903005

CCCCNC(=O)CSc1ccc(C(C)C)cc1

nearest known ligand 0.54

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
HTT P42858 1/20 0.54
HSD17B10 Q99714 1/20 0.54
HPGD P15428 5/20 0.53
KMT2A Q03164 2/20 0.52
MEN1 O00255 1/20 0.52
LMNA P02545 1/20 0.52
EPHX1 P07099 1/20 0.50
MCL1 Q07820 1/20 0.50
PKM P14618 1/20 0.50
USP2 O75604 1/20 0.50
ACKR3 P25106 1/20 0.45
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL25442702 0.96 EPHX1 (0.56) HTTHSD17B10HPGDKMT2AMEN1
SCHEMBL25442226 0.87 HPGD (0.55) HTTHSD17B10HPGDKMT2AMEN1
SCHEMBL23903436 0.85 HTT (0.72) HTTHSD17B10HPGDKMT2AMEN1
SCHEMBL8590012 0.78 HTT (0.52) HTTHSD17B10HPGDKMT2ALMNA
SCHEMBL8621310 0.78 HTT (0.52) HTTHSD17B10HPGDKMT2ALMNA
SCHEMBL8389804 0.78 HTT (0.52) HTTHSD17B10HPGDKMT2ALMNA
SCHEMBL20114371 0.78 HPGD (0.41) HPGDKMT2AMEN1LMNAEPHX1
SCHEMBL11872394 0.77 HPGD (0.51) HTTHSD17B10HPGDKMT2AMEN1
SCHEMBL12961644 0.77 ACKR3 (0.60) HTTHPGDKMT2ALMNAEPHX1
SCHEMBL25442229 0.76 HPGD (0.70) HTTHSD17B10HPGDKMT2AMEN1

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-2021203016-A2 PROTEIN-PROTEIN INTERACTION STABILIZERS THE REGENTS OF THE UNIVERSITY OF CALIFORNIA (US) 2021-10-07 WO disclosed