SCHEMBL1767620

SCHEMBL1767620

CCC(=O)CC(=O)NCC(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FAAH O00519 5/20 0.43
ALDH1A1 P00352 5/20 0.43
EGLN1 Q9GZT9 2/20 0.42
TDP1 Q9NUW8 3/20 0.41
FFAR3 O14843 1/20 0.41
MAPT P10636 2/20 0.41
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
APEX1 P27695 2/20 0.41
KDM4E B2RXH2 1/20 0.41
USP2 O75604 1/20 0.41
POLB P06746 1/20 0.41
CYP3A4 P08684 1/20 0.41
HPGD P15428 1/20 0.41
ALOX15 P16050 1/20 0.41
RECQL P46063 1/20 0.41
BLM P54132 1/20 0.41
PMP22 Q01453 1/20 0.41
GPR18 Q14330 1/20 0.41
HSD17B10 Q99714 1/20 0.41

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
SCHEMBL528195 0.82
SCHEMBL31023073 0.82 FAAH (0.49) FAAHALDH1A1EGLN1TDP1FFAR3
SCHEMBL8078660 0.80 MEN1 (0.50) FAAHALDH1A1EGLN1TDP1FFAR3
SCHEMBL2807522 0.79 EGLN1 (0.46) FAAHALDH1A1EGLN1TDP1MAPT
SCHEMBL23471380 0.78 MEN1 (0.48) FAAHALDH1A1EGLN1TDP1FFAR3
Benzene SCHEMBL28030653 0.78 FAAH (0.48) FAAHALDH1A1EGLN1TDP1FFAR3
SCHEMBL10604328 0.77 TDP1 (0.47) FAAHALDH1A1TDP1FFAR3MAPT
SCHEMBL6471153 0.76 LDHA (0.47) FAAHALDH1A1EGLN1TDP1MAPT
SCHEMBL10630632 0.76 TSHR (0.41) FAAHALDH1A1EGLN1TDP1MAPT
SCHEMBL1055886 0.75 CTH (0.46) FAAHALDH1A1EGLN1TDP1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO claimed
WO-2011051813-A1 COMPOSITIONS AND METHODS FOR TREATING DERMATOLOGICAL CONDITIONS PAUL HARBHAJAN S (US) 2011-05-05 WO disclosed
EP-1098630-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION Biomed Research and Technologies, Inc. (US) 2001-05-16 EP disclosed
WO-2000004870-A2 COMPOSITION FOR ENHANCING EPIDERMAL LIPID PRODUCTION BIOMED RESEARCH AND TECHNOLOGIES, INC. (US) 2000-02-03 WO disclosed