SCHEMBL3630423

SCHEMBL3630423

COc1ccc(Cl)cc1C(=O)Cl.COc1ccc(Cl)cc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.58
LMNA P02545 1/20 0.55
ALDH1A1 P00352 6/20 0.54
HPGD P15428 3/20 0.52
MAPK1 P28482 1/20 0.52
TDP1 Q9NUW8 1/20 0.52
KCNMA1 Q12791 3/20 0.51
TSHR P16473 2/20 0.51
GAA P10253 1/20 0.51
TP53 P04637 1/20 0.50
MAPT P10636 1/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
TTR P02766 1/20 0.49
CA1 P00915 1/20 0.49
CA2 P00918 1/20 0.49
GRIK1 P39086 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL30100412 0.93 MRGPRX4 (0.64) MRGPRX4LMNAALDH1A1HPGDMAPK1
SCHEMBL257135 0.93 LMNA (0.61) LMNAALDH1A1HPGDTDP1KCNMA1
SCHEMBL48961 0.93 MRGPRX4 (0.64) MRGPRX4LMNAALDH1A1HPGDMAPK1
Hydrochloric Acid SCHEMBL7210817 0.91 MRGPRX4 (0.62) MRGPRX4LMNAALDH1A1HPGDMAPK1
SCHEMBL30323649 0.81 TSHR (0.53) MRGPRX4LMNAALDH1A1HPGDMAPK1
SCHEMBL11306685 0.80 LMNA (0.63) LMNAALDH1A1HPGDKCNMA1TSHR
SCHEMBL11405282 0.80 HTT (0.69) MRGPRX4ALDH1A1HPGDMAPK1TDP1
SCHEMBL6542484 0.79 LMNA (0.61) LMNAALDH1A1HPGDKCNMA1TSHR
SCHEMBL364764 0.79 ALDH1A1 (0.65) LMNAALDH1A1HPGDKCNMA1TSHR
SCHEMBL1423874 0.79 FLT1 (0.55) LMNAALDH1A1KCNMA1MAPTMEN1

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-2146973-A2 NOVEL COMPOUNDS AS CANNABINOID RECEPTOR LIGANDS Abbott Laboratories (US) 2010-01-27 EP disclosed
WO-2008130953-A2 2-IMIN0IS0THIAZ0LE DERIVATIVES AS CANNABINOID RECEPTOR LIGANDS ABBOTT LABORATORIES (US) 2008-10-30 WO disclosed