SCHEMBL9067737

SCHEMBL9067737

CCOC(=O)CCCCC[PH](=O)CO

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.49
ALDH1A1 P00352 2/20 0.49
ALOX15 P16050 2/20 0.49
TDP1 Q9NUW8 2/20 0.49
CYP3A4 P08684 1/20 0.49
HSD17B10 Q99714 1/20 0.49
CYP1A2 P05177 1/20 0.48
DGKA P23743 1/20 0.44
KMT2A Q03164 3/20 0.44
NR1I2 O75469 1/20 0.44
PGR P06401 1/20 0.44
ADORA3 P0DMS8 1/20 0.44
PTGS2 P35354 1/20 0.44
PDE4D Q08499 1/20 0.44
GAA P10253 1/20 0.43
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
USP2 O75604 1/20 0.41
PAM P19021 2/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL2397583 0.85 CYP1A2 (0.45) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL13412466 0.81 CYP1A2 (0.52) TSHRALDH1A1ALOX15TDP1CYP3A4
Alcohol SCHEMBL6852571 0.80 CYP1A2 (0.64) TSHRALDH1A1ALOX15TDP1CYP3A4
Diethyl Octadecanedioate SCHEMBL496152 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL440349 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL494584 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL19066941 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL6055406 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL33870 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4
SCHEMBL1483107 0.80 CYP1A2 (0.70) TSHRALDH1A1ALOX15TDP1CYP3A4

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-0726903-A1 MATRIX METALLOPROTEASE INHIBITORS SYNTEX INC (US) 1996-08-21 EP disclosed
WO-1995012603-A1 MATRIX METALLOPROTEASE INHIBITORS________________________________ SYNTEX (U.S.A.) INC. (US) 1995-05-11 WO disclosed