SCHEMBL5163096

SCHEMBL5163096

NC(N)(C(=O)O)C1(CCC(=O)O)CC1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 2/20 0.35
THRB P10828 2/20 0.35
KMT2A Q03164 2/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 2/20 0.32
ALKBH5 Q6P6C2 1/20 0.32
SUCNR1 Q9BXA5 1/20 0.32
EGLN1 Q9GZT9 1/20 0.32
GABRR3 A8MPY1 1/20 0.30
GABRP O00591 1/20 0.30
GABRD O14764 1/20 0.30
HDAC3 O15379 1/20 0.30
GABBR2 O75899 1/20 0.30
GABRA1 P14867 1/20 0.30
TSHR P16473 1/20 0.30
GABRB1 P18505 1/20 0.30
GABRG2 P18507 1/20 0.30
GABRR1 P24046 1/20 0.30
GABRB3 P28472 1/20 0.30

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
SCHEMBL11670154 0.77 TSHR (0.39) THRBKMT2AMEN1ALDH1A1LMNA
SCHEMBL11669784 0.77 TSHR (0.39) THRBKMT2AMEN1ALDH1A1LMNA
SCHEMBL16028458 0.74 LMNA (0.35) LMNAALKBH5SUCNR1EGLN1TSHR
SCHEMBL18281682 0.66
SCHEMBL13512958 0.62 LMNA (0.39) CYP1A2THRBKMT2AMEN1ALDH1A1
SCHEMBL1067916 0.61 LMNA (0.42) CYP1A2THRBKMT2AALDH1A1LMNA
SCHEMBL8039664 0.61 LMNA (0.35) LMNAALKBH5SUCNR1EGLN1TSHR
SCHEMBL248779 0.61 CYP2C19 (0.44) CYP1A2KMT2ALMNAALKBH5SUCNR1
SCHEMBL25985065 0.61
SCHEMBL9570526 0.61 LMNA (0.40) CYP1A2KMT2AALDH1A1LMNAALKBH5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070286829-A1 Antiperspirant Or Deodorant Compositions CONOPCO, INC., D/B/A UNILEVER 2007-12-13 US disclosed
EP-1755544-A1 ANTIPERSPIRANT OR DEODORANT COMPOSITIONS Unilever Plc (GB) 2007-02-28 EP disclosed
WO-2005112879-A1 ANTIPERSPIRANT OR DEODORANT COMPOSITIONS UNILEVER PLC (GB) 2005-12-01 WO disclosed