SCHEMBL4240599

SCHEMBL4240599

COc1cc(OC)c(C(C)C)cc1C(=O)c1ccc(Cl)cc1

nearest known ligand 0.59

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.59
MAPT P10636 5/20 0.55
HTT P42858 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
HPGD P15428 2/20 0.47
RAB9A P51151 1/20 0.47
NPC1 O15118 1/20 0.47
CNR1 P21554 1/20 0.45
ALDH1A1 P00352 1/20 0.43
LPAR1 Q92633 2/20 0.42
RXRA P19793 1/20 0.42
LMNA P02545 3/20 0.42
BCL2 P10415 2/20 0.41
MCL1 Q07820 2/20 0.41

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
SCHEMBL4249427 0.87 NPC1 (0.63) POLBMAPTHTTNPSR1HPGD
SCHEMBL28292159 0.83 POLB (0.46) POLBMAPTHTTNPSR1HPGD
SCHEMBL29229971 0.81 POLB (0.64) POLBMAPTHTTNPSR1HPGD
SCHEMBL4242596 0.79 RORC (0.41) POLBMAPTHPGDNPC1LPAR1
SCHEMBL4240485 0.78 CES2 (0.54) POLBMAPTHTTNPSR1HPGD
SCHEMBL7410935 0.77 POLB (0.62) POLBMAPTHTTNPSR1HPGD
SCHEMBL7051707 0.75 NR3C1 (0.74) POLBMAPT
SCHEMBL17948554 0.75 CYP3A4 (0.47) POLBMAPTHTTNPSR1HPGD
SCHEMBL382778 0.75 HPGD (0.55) POLBMAPTNPSR1HPGDALDH1A1
SCHEMBL4070902 0.75 LMNA (0.53) POLBCNR1LMNABCL2MCL1

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
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed
WO-2009066060-A2 4-SUBSTITUTED-6-ISOPROPYL-BENZENE-1,3-DIOL COMPOUNDS AND THEIR USE TOPOTARGET A/S (DK) 2009-05-28 WO disclosed