SCHEMBL8890420

SCHEMBL8890420

COC(=O)c1ccc(OC)c(COCc2ccccc2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 1/20 0.55
SMPD1 P17405 1/20 0.51
HDAC1 Q13547 1/20 0.51
HDAC8 Q9BY41 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
HPGD P15428 3/20 0.50
LMNA P02545 2/20 0.50
MAPT P10636 4/20 0.49
THRB P10828 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
NPC1 O15118 2/20 0.49
RAB9A P51151 2/20 0.49
TSHR P16473 3/20 0.48
USP2 O75604 1/20 0.48
HTT P42858 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP3A4 P08684 1/20 0.47
CYP2C9 P11712 1/20 0.47
CYP2C19 P33261 1/20 0.47

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
SCHEMBL8892297 0.89 RXRA (0.54) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL8890381 0.86 NPC1 (0.49) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL8891792 0.82 TSHR (0.63) HIF1ALMNAMAPTTHRBSMN1; SMN2
SCHEMBL9233919 0.81 TSHR (0.62) HPGDLMNAMAPTSMN1; SMN2NPC1
SCHEMBL2188210 0.81 SMPD1 (0.76) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL2063068 0.81 SMN1; SMN2 (0.73) SMPD1HDAC1HDAC8HDAC6HPGD
SCHEMBL8891413 0.80 ALDH1A1 (0.55) HIF1AHPGDLMNAMAPTTHRB
SCHEMBL6667451 0.80 LOXL2 (0.64) HIF1AHPGDLMNAMAPTSMN1; SMN2
SCHEMBL13141043 0.79 IDO1 (0.57) HIF1AHPGDMAPTTHRBSMN1; SMN2
SCHEMBL28881534 0.78 LMNA (0.48) SMPD1HDAC1HDAC8HDAC6HPGD

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-1997003967-A1 SUBSTITUTED AROMATIC COMPOUNDS AND THEIR PHARMACEUTICAL USE RHONE-POULENC RORER LIMITED (GB) 1997-02-06 WO disclosed