SCHEMBL8409751

SCHEMBL8409751

CC(C)(C)OC(=O)NC(Cc1ccsc1)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.64

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.56
CTSS P25774 2/20 0.55
CTSK P43235 1/20 0.55
MAPK1 P28482 1/20 0.54
PABPC1 P11940 1/20 0.51
HRH2 P25021 1/20 0.49
HRH1 P35367 1/20 0.49
SCN9A Q15858 1/20 0.47
CCR1 P32246 5/20 0.46
ACE P12821 1/20 0.45
ADORA1 P30542 1/20 0.44
F13A1 P00488 1/20 0.44
TGM2 P21980 1/20 0.44
TGM1 P22735 1/20 0.44
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL2374766 0.89 KMT2A (0.68) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL2374758 0.89 KMT2A (0.68) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL6163361 0.81 CTSL (0.60) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL6163357 0.81 CTSL (0.60) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL29682591 0.80 KMT2A (0.56) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL6161108 0.80 PPARG (0.59) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL6161114 0.80 PPARG (0.59) KMT2AMAPK1PABPC1HRH2HRH1
SCHEMBL6162815 0.79 KMT2A (0.71) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL6162477 0.79 KMT2A (0.71) KMT2ACTSSCTSKMAPK1PABPC1
SCHEMBL6162484 0.79 KMT2A (0.71) KMT2ACTSSCTSKMAPK1PABPC1

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-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed