SCHEMBL11065753

SCHEMBL11065753

CCOP(=O)(OCC)C(O)C(C)(C)C

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.44
CYP2C19 P33261 2/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
HMGCR P04035 2/20 0.40
TSHR P16473 2/20 0.40
GAA P10253 2/20 0.40
L3MBTL1 Q9Y468 1/20 0.39
TP53 P04637 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
PPARD Q03181 2/20 0.37
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35

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
SCHEMBL5382467 0.80 POLB (0.43) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL32679459 0.80 LMNA (0.59) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL4462235 0.75 POLB (0.50) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL3904945 0.75 POLB (0.50) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL9050380 0.74 POLB (0.46) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL21511095 0.74 HMGCR (0.42) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL8373901 0.73 LMNA (0.62) CYP2C19LMNA
SCHEMBL3822346 0.73 POLB (0.48) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL4402436 0.73 TSHR (0.40) POLBCYP2C19CYP3A4CYP2C9HMGCR
SCHEMBL22304385 0.72 CYP3A4 (0.38) POLBCYP2C19CYP3A4CYP2C9HMGCR

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4471118-A Preparation of aldehydes by heating an α-hydroxyphosphonic acid ester BAYER AKTIENGESELLSCHAFT (DE) 1984-09-11 US disclosed