SCHEMBL8961419

SCHEMBL8961419

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

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.33
CYP2C19 P33261 1/20 0.32
CES2 O00748 1/20 0.32
CES1 P23141 1/20 0.32
ZDHHC7 Q9NXF8 1/20 0.32
FFAR3 O14843 2/20 0.31
HDAC3 O15379 2/20 0.31
HDAC1 Q13547 2/20 0.31
HDAC2 Q92769 2/20 0.31
HDAC8 Q9BY41 2/20 0.31
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
SCHEMBL8961229 0.89 LMNA (0.40) LMNAALDH1A1CES2CES1ZDHHC7
SCHEMBL7168676 0.87 CES2 (0.44) LMNACES2CES1ZDHHC7
SCHEMBL8961214 0.83 LMNA (0.37) LMNACYP2C19
SCHEMBL11435518 0.78 LMNA (0.35) LMNACES2
SCHEMBL11435477 0.75 CES2 (0.40) LMNAALDH1A1CES2ZDHHC7TSHR
SCHEMBL8961408 0.72 LMNA (0.38) LMNAALDH1A1CYP2C19
SCHEMBL6101319 0.70 SMN1; SMN2 (0.37) LMNACYP2C19ZDHHC7
SCHEMBL9770211 0.70 LMNA (0.37) LMNACYP2C19
SCHEMBL11711197 0.69 FDPS (0.40) LMNAZDHHC7TSHR
SCHEMBL11718680 0.68 CES2 (0.44) LMNACES2CES1

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