SCHEMBL1468445

SCHEMBL1468445

CCC(=O)OC(C(=O)O)C(O)C(=O)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MMP1 P03956 1/20 0.44
MMP2 P08253 1/20 0.44
MMP3 P08254 1/20 0.44
MMP9 P14780 1/20 0.44
MMP13 P45452 1/20 0.44
TSHR P16473 2/20 0.38
SRC P12931 1/20 0.37
PGD P52209 2/20 0.34
MEN1 O00255 1/20 0.34
CYP2C19 P33261 1/20 0.34
RECQL P46063 1/20 0.34
KMT2A Q03164 1/20 0.34
FFAR3 O14843 1/20 0.32
SLC1A3 P43003 1/20 0.31
SLC1A2 P43004 1/20 0.31
SLC1A1 P43005 1/20 0.31
CYP2C9 P11712 1/20 0.31
PDE4A P27815 1/20 0.31
ALDH1A1 P00352 1/20 0.31
TP53 P04637 1/20 0.31

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
SCHEMBL19846203 0.88 MMP1 (0.37) MMP1MMP2MMP3MMP9MMP13
SCHEMBL4953255 0.86 MMP1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL19846200 0.86 MMP1 (0.50) MMP1MMP2MMP3MMP9MMP13
SCHEMBL29098552 0.83 ALDH1A1 (0.43) MMP1MMP2MMP3MMP9MMP13
SCHEMBL1168152 0.82 MMP1 (0.42) MMP1MMP2MMP3MMP9MMP13
SCHEMBL23630284 0.80 TSHR (0.41) MMP1MMP2MMP3MMP9MMP13
SCHEMBL6892557 0.80 MMP1 (0.67) MMP1MMP2MMP3MMP9MMP13
SCHEMBL12091193 0.80 MMP1 (0.45) MMP1MMP2MMP3MMP9MMP13
SCHEMBL20590957 0.79 LMNA (0.55) TSHRMEN1KMT2ACYP2C9ALDH1A1
SCHEMBL19846192 0.78 MMP1 (0.44) MMP1MMP2MMP3MMP9MMP13

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
US-20150196568-A1 SYSTEM FOR USE BY COMPOUNDING PHARMACISTS TO PRODUCE HORMONE REPLACEMENT MEDICINE CUSTOMIZED FOR EACH CUSTOMER MAMCHUR STEPHEN A (CA) 2015-07-16 US disclosed
US-20110071122-A1 System for use by compounding pharmacists cists to produce hormone replacement medicine customized for each customer MAMCHUR STEPHEN A 2011-03-24 US disclosed
US-7858607-B2 System for use by compounding pharmacists to produce hormone replacement medicine customized for each consumer MAMCHUR STEPHEN A 2010-12-28 US disclosed
US-20040180866-A1 Hormone concentrate pharmaceutical composition MAMCHUR STEPHEN A (CA) 2004-09-16 US disclosed