SCHEMBL8961229

SCHEMBL8961229

CCCCC(=O)C(Br)P(=O)(OC)OC

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.40
CES2 O00748 2/20 0.37
ZDHHC7 Q9NXF8 1/20 0.37
CES1 P23141 1/20 0.37
ALDH1A1 P00352 1/20 0.34
TP53 P04637 1/20 0.34
ENPP2 Q13822 2/20 0.34
TRPV1 Q8NER1 1/20 0.34

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
SCHEMBL7168676 0.95 CES2 (0.44) LMNACES2ZDHHC7CES1ENPP2
SCHEMBL11711111 0.93 CES2 (0.47) CES2ZDHHC7CES1ENPP2TRPV1
SCHEMBL8961419 0.89 LMNA (0.46) LMNACES2ZDHHC7CES1ALDH1A1
SCHEMBL8961214 0.80 LMNA (0.37) LMNA
SCHEMBL11435477 0.80 CES2 (0.40) LMNACES2ZDHHC7ALDH1A1
SCHEMBL11718680 0.76 CES2 (0.44) LMNACES2CES1ENPP2
SCHEMBL11435518 0.75 LMNA (0.35) LMNACES2
SCHEMBL11711197 0.74 FDPS (0.40) LMNAZDHHC7
SCHEMBL11644166 0.73 CES2 (0.53) LMNACES2CES1
SCHEMBL10493704 0.73 CES2 (0.44) LMNACES2CES1ALDH1A1ENPP2

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-5532402-A Process for producing optically active hydroxyalkylphosphonates TAKASAGO INTERNATIONAL CORPORATION (JP) 1996-07-02 US disclosed