SCHEMBL11268857

SCHEMBL11268857

CC(=O)SCC(CC(C)C)C(=O)NCCCCNC(=N)N

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KISS1R Q969F8 1/20 0.37
MMP8 P22894 1/20 0.36
CPB2 Q96IY4 1/20 0.35
MME P08473 2/20 0.35
CAPN1 P07384 2/20 0.34
CTSK P43235 2/20 0.34
CAPN9 O14815 1/20 0.34
CTSL P07711 1/20 0.34
CTSB P07858 1/20 0.34
CTSH P09668 1/20 0.34
CTSS P25774 1/20 0.34
CTSC P53634 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CYP2C19 P33261 1/20 0.34
USP2 O75604 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
BLM P54132 1/20 0.34

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
SCHEMBL11236002 0.91 CYP1A2 (0.33) KISS1RMMP8CPB2MMECYP3A4
SCHEMBL11209304 0.86 MMP8 (0.39) KISS1RMMP8CPB2MMECAPN1
SCHEMBL11207356 0.84 NPY4R (0.46) NPY4RNPY1RNPY2RNPY5R
SCHEMBL11352509 0.84 NPY4R (0.47) NPY4RNPY1RNPY2RNPY5R
SCHEMBL9069166 0.83 NPY4R (0.43) NPY4RNPY1RNPY2RNPY5R
SCHEMBL11210981 0.82 ADRA1A (0.45) KISS1RMMP8CPB2MMEMAPK1
SCHEMBL10919519 0.82 NPY4R (0.44) NPY4RNPY1RNPY2RNPY5RFCER2
SCHEMBL9068526 0.81 NPY4R (0.40) CPB2MMENPY4RNPY1RNPY2R
SCHEMBL18379446 0.81 USP2 (0.47) KISS1RMMP8TSHRUSP2NPY4R
SCHEMBL11208669 0.81 ADRA1A (0.47) KISS1RMMP8CPB2MMEMAPK1

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
US-4327111-A N-Substituted mercaptoacyl pripionamides E. R. SQUIBB & SONS, INC. (US) 1982-04-27 US claimed
US-4327111-A N-Substituted mercaptoacyl pripionamides E. R. SQUIBB & SONS, INC. (US) 1982-04-27 US disclosed