SCHEMBL28860434

SCHEMBL28860434

CCCCC=CB(O)OCl

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F7 P08709 1/20 0.34
F3 P13726 1/20 0.34
LPAR3 Q9UBY5 4/20 0.34
LPAR2 Q9HBW0 3/20 0.34
LPAR1 Q92633 2/20 0.34
FAAH O00519 1/20 0.32
TSHR P16473 2/20 0.31
ALDH1A1 P00352 1/20 0.31
ANPEP P15144 1/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
LMNA P02545 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
MAPT P10636 1/20 0.31
CYP2C9 P11712 1/20 0.31
ALOX15 P16050 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 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
SCHEMBL249672 0.75
SCHEMBL29955736 0.75
SCHEMBL157037 0.75
SCHEMBL8852636 0.75 TSHR (0.38) F7F3LPAR3LPAR2LPAR1
SCHEMBL8852633 0.75 TSHR (0.38) F7F3LPAR3LPAR2LPAR1
SCHEMBL8852659 0.72 LPAR2 (0.30) F7F3LPAR3LPAR2LPAR1
SCHEMBL8852654 0.72 LPAR2 (0.30) F7F3LPAR3LPAR2LPAR1
SCHEMBL18312459 0.71
SCHEMBL5951981 0.71
SCHEMBL7528491 0.70 TSHR (0.38) F7F3LPAR3LPAR2LPAR1

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
CN-108192049-A A kind of preparation method of valine polymeric material 孝感市锐思新材科技有限公司 2018-06-22 CN disclosed