SCHEMBL6161108

SCHEMBL6161108

CC(C)(C)OC(=O)NC(CSCc1ccccc1)C(=O)N1CCC(c2ccccc2)CC1

nearest known ligand 0.62

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
PPARG P37231 8/20 0.59
PPARA Q07869 8/20 0.59
KMT2A Q03164 2/20 0.54
PPARD Q03181 2/20 0.54
MAPK1 P28482 1/20 0.54
PABPC1 P11940 1/20 0.49
CCKBR P32239 1/20 0.49
CCR1 P32246 2/20 0.48
F13A1 P00488 1/20 0.47
TGM2 P21980 1/20 0.47
TGM1 P22735 1/20 0.47
HRH2 P25021 1/20 0.47
HRH1 P35367 1/20 0.47
TLR2 O60603 1/20 0.46
TLR1 Q15399 1/20 0.46

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
SCHEMBL6161114 1.00 PPARG (0.59) PPARGPPARAKMT2APPARDMAPK1
SCHEMBL6164942 0.91 PPARG (0.48) PPARGPPARAKMT2APPARDMAPK1
SCHEMBL6164945 0.91 PPARG (0.48) PPARGPPARAKMT2APPARDMAPK1
SCHEMBL2374766 0.88 KMT2A (0.68) KMT2AMAPK1PABPC1CCR1F13A1
SCHEMBL2374758 0.88 KMT2A (0.68) KMT2AMAPK1PABPC1CCR1F13A1
SCHEMBL6162558 0.85 CCKBR (0.49) CCKBRCCR1
SCHEMBL6162563 0.85 CCKBR (0.49) CCKBRCCR1
Hydrochloric Acid SCHEMBL6161340 0.84 CCKBR (0.49) CCKBRCCR1
Hydrochloric Acid SCHEMBL6161333 0.84 CCKBR (0.49) CCKBRCCR1
SCHEMBL21983140 0.83 F13A1 (0.47) CCKBRCCR1F13A1TGM2TGM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0828754-B1 DIPEPTIDES WHICH PROMOTE RELEASE OF GROWTH HORMONE PFIZER (US) 2005-02-02 EP disclosed
US-5936089-A PIPERIDINE DERIVATIVES; BONE DISORDERS; OBESITY; AGING; CACHEXIA ASSOCIATED WITH AIDS AND CANCER PFIZER INC (US) 1999-08-10 US disclosed