SCHEMBL10877201

SCHEMBL10877201

CC(C)CCC(=O)OC(C)Cl

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
CA1 P00915 2/20 0.44
LMNA P02545 3/20 0.36
MMP1 P03956 1/20 0.32
MMP2 P08253 1/20 0.32
MMP3 P08254 1/20 0.32
MMP9 P14780 1/20 0.32
MMP13 P45452 1/20 0.32
TRPA1 O75762 1/20 0.32
THRA P10827 1/20 0.31
THRB P10828 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
MAPT P10636 1/20 0.31
MAPK1 P28482 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
SCHEMBL11601735 0.85 LMNA (0.41) LMNAMMP1MMP2MMP3MMP9
SCHEMBL131802 0.81 LMNA (0.54) CA1LMNAMMP1MMP2MMP3
SCHEMBL11719240 0.81 LMNA (0.54) LMNAMAPTMAPK1
Ammonia Solution, Strong SCHEMBL28576941 0.79 LMNA (0.52) CA1LMNATDP1MAPT
Hydrochloric Acid SCHEMBL30807186 0.79 LMNA (0.52) CA1LMNATDP1MAPT
SCHEMBL1171148 0.79
SCHEMBL27920846 0.79 LMNA (0.52) CA1LMNATDP1MAPT
SCHEMBL21916350 0.78 LMNA (0.32) LMNA
SCHEMBL10874983 0.77 CA1 (0.44) CA1LMNAMMP1MMP2MMP3
SCHEMBL21346556 0.77 CA1 (0.44) CA1LMNAMMP1MMP2MMP3

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
EP-0093548-B1 CEPHALOSPORIN DERIVATIVES Takeda Chemical Industries, Ltd. (JP) 1986-12-30 EP disclosed
US-4497809-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1985-02-05 US disclosed
EP-0093548-A2 Cephalosporin derivatives Takeda Chemical Industries, Ltd. (JP) 1983-11-09 EP disclosed