SCHEMBL6686381

SCHEMBL6686381

O=C(O)C1(C(=O)O)CC(Cl)C1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 4/20 0.35
GRM4 Q14833 6/20 0.35
CYP1A2 P05177 3/20 0.35
ALDH1A1 P00352 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
GRM8 O00222 2/20 0.35
GRM6 O15303 2/20 0.35
ALOX15 P16050 2/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP2D6 P10635 1/20 0.35
CYP2C9 P11712 1/20 0.35
KDM4E B2RXH2 1/20 0.35
APLNR P35414 1/20 0.32
GRM1 Q13255 3/20 0.31
GRM2 Q14416 4/20 0.31
GRM5 P41594 2/20 0.31
FFAR3 O14843 1/20 0.30
GRM3 Q14832 2/20 0.30
LMNA P02545 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
SCHEMBL5203259 0.75 CYP2C19 (0.35) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL11537183 0.73 GRM1 (0.43) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL11820400 0.73
SCHEMBL1661518 0.73 APLNR (0.36) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL1661517 0.73 GRM4 (0.33) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL15876350 0.73 GRM4 (0.33) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL7140236 0.73 GRM4 (0.56) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL13529287 0.73 GRM4 (0.39) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL6105605 0.73 GRM4 (0.35) CYP2C19GRM4CYP1A2ALDH1A1TDP1
SCHEMBL31268151 0.73

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
WO-2004099224-A1 CARBOPLATIN-TYPE PLATINUM (II) COMPLEXES UNIVERSITÄT REGENSBURG (DE) 2004-11-18 WO disclosed