SCHEMBL8830592

SCHEMBL8830592

CCC(=O)OC(C)C([O])=O

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.37
CYP2C19 P33261 1/20 0.37
RECQL P46063 1/20 0.37
KMT2A Q03164 1/20 0.37
ALDH1A1 P00352 2/20 0.35
LMNA P02545 2/20 0.34
NAAA Q02083 1/20 0.32
ALOX15 P16050 1/20 0.32
TSHR P16473 1/20 0.31
ESR1 P03372 1/20 0.31
HIF1A Q16665 1/20 0.31
TDP1 Q9NUW8 2/20 0.30
FFAR3 O14843 1/20 0.30
MMP1 P03956 1/20 0.30
MMP2 P08253 1/20 0.30
MMP3 P08254 1/20 0.30
MMP9 P14780 1/20 0.30
MMP13 P45452 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
SCHEMBL2610011 0.80 MMP1 (0.39) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL823240 0.80 MMP1 (0.39) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL2044655 0.80 MMP1 (0.39) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL13377782 0.80 CYP2C19 (0.37) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL27621396 0.78 MEN1 (0.36) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL27899749 0.78 MMP1 (0.38) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL27684184 0.78 MEN1 (0.36) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL27265848 0.78 ALDH1A1 (0.39) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL7065064 0.76 LMNA (0.41) MEN1CYP2C19RECQLKMT2AALDH1A1
SCHEMBL28491797 0.76 MEN1 (0.43) MEN1CYP2C19RECQLKMT2AALDH1A1

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-5661153-A FOR TREATING ALLERGIES, ASTHMA, DERMATITIS, GRAFT REJECTIONS JAPAN ENERGY CORPORATION (JP) 1997-08-26 US disclosed
WO-1993023410-A1 NOVEL PLATINUM (IV) DERIVATIVES, METHOD OF PREPARATION AND PHARMACEUTICAL COMPOSITIONS CONTAINING SAME LABORATOIRE ROGER BELLON (FR) 1993-11-25 WO disclosed