SCHEMBL6239164

SCHEMBL6239164

COc1cc(Cl)ccc1C(C)O

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LPAR1 Q92633 4/20 0.44
TRPV4 Q9HBA0 1/20 0.44
GAA P10253 2/20 0.42
MGAM O43451 1/20 0.42
SI P14410 1/20 0.42
MGAM2 Q2M2H8 1/20 0.42
HTT P42858 2/20 0.41
LMNA P02545 2/20 0.41
TP53 P04637 1/20 0.41
ALDH1A1 P00352 2/20 0.41
MEN1 O00255 3/20 0.40
KMT2A Q03164 3/20 0.40
S1PR3 Q99500 1/20 0.40
HTR2A P28223 1/20 0.40
SLC6A4 P31645 1/20 0.40
KCNH2 Q12809 1/20 0.40
PDE2A O00408 1/20 0.40
MAPT P10636 1/20 0.39
KDM4E B2RXH2 1/20 0.39
HPGD P15428 1/20 0.39

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
SCHEMBL364796 0.85 ADRA2A (0.45) LPAR1TRPV4GAAHTTLMNA
SCHEMBL1911429 0.84 LPAR1 (0.50) LPAR1TRPV4GAAHTTLMNA
SCHEMBL27753971 0.80 LPAR1 (0.48) LPAR1TRPV4HTTLMNAALDH1A1
SCHEMBL18713894 0.80 PLAU (0.43) HTTLMNAALDH1A1MAPTKDM4E
SCHEMBL1678998 0.79 PTGS1 (0.49) LPAR1TRPV4HTTALDH1A1MEN1
SCHEMBL30542148 0.78 MAOB (0.55) GAAMGAMSIMGAM2MAPT
SCHEMBL9862160 0.78 MAOB (0.55) GAAMGAMSIMGAM2MAPT
SCHEMBL11709428 0.78 ADRA2A (0.54) ALDH1A1MEN1KMT2AMAPTHPGD
SCHEMBL13345090 0.78 ACHE (0.54) LPAR1GAAMGAMSIMGAM2
SCHEMBL31439778 0.78 ADRA2A (0.54) ALDH1A1MEN1KMT2AMAPTHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1606268-A1 HETEROCYCLIC KINASE INHIBITORS Abbott Laboratories (US) 2005-12-21 EP disclosed
WO-2004076424-A1 HETEROCYCLIC KINASE INHIBITORS ABBOTT LABORATORIES (US) 2004-09-10 WO disclosed