SCHEMBL10403142

SCHEMBL10403142

CC(C)(C)C(=O)OCCOC([O])=O

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.43
GAA P10253 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
PRKCA P17252 1/20 0.41
ELANE P08246 3/20 0.32
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
MEN1 O00255 1/20 0.31
GBA1 P04062 1/20 0.31
MAPT P10636 1/20 0.31
RECQL P46063 1/20 0.31
KMT2A Q03164 1/20 0.31
BTN3A1 O00481 2/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2C19 P33261 1/20 0.31
ALDH1A1 P00352 2/20 0.30
TSHR P16473 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
SCHEMBL4258156 0.89 POLB (0.48) POLBGAANPSR1PRKCAELANE
SCHEMBL5021535 0.82 POLB (0.44) POLBGAANPSR1PRKCAELANE
SCHEMBL1640972 0.82 POLB (0.44) POLBGAANPSR1PRKCAELANE
SCHEMBL4885829 0.82 POLB (0.44) POLBGAANPSR1PRKCAELANE
Benzene SCHEMBL10513541 0.82 POLB (0.48) POLBGAANPSR1PRKCAELANE
SCHEMBL4886954 0.82 POLB (0.44) POLBGAANPSR1PRKCAELANE
SCHEMBL3910492 0.80 POLB (0.43) POLBGAANPSR1PRKCAELANE
SCHEMBL10403143 0.80 POLB (0.43) POLBGAANPSR1PRKCAELANE
SCHEMBL5780615 0.80 ALDH1A1 (0.50) POLBGAANPSR1PRKCAALDH1A1
SCHEMBL8716409 0.80 PRKCA (0.41) POLBGAANPSR1PRKCAELANE

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-4914206-A ANTIBIOTICS TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1990-04-03 US disclosed
EP-0226896-A2 Lankacidin derivatives and production thereof Takeda Chemical Industries, Ltd. (JP) 1987-07-01 EP disclosed