SCHEMBL9323928

SCHEMBL9323928

COC(=O)c1cc(OCCCOc2ccc(OCc3ccccc3)cc2)cc(OCCCOc2ccc(OCc3ccccc3)cc2)c1

nearest known ligand 0.60

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.60
HPGD P15428 1/20 0.60
MEN1 O00255 4/20 0.60
KMT2A Q03164 4/20 0.60
RAB9A P51151 4/20 0.58
MAPT P10636 3/20 0.58
NPC1 O15118 4/20 0.55
KDM4E B2RXH2 1/20 0.55
MAOB P27338 2/20 0.55
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
SMN1; SMN2 Q16637 4/20 0.53
MRGPRX4 Q96LA9 1/20 0.53
PARP10 Q53GL7 1/20 0.51
HTT P42858 1/20 0.51

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
SCHEMBL9324726 0.94 LMNA (0.60) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL2808656 0.93 LMNA (0.59) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL9325186 0.93 PLA2G2A (0.54) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL9324877 0.93 PLA2G2A (0.54) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL9323897 0.93 PLA2G2A (0.54) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL391547 0.92 MEN1 (0.71) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL2650902 0.89 LMNA (0.60) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL183994 0.89 LMNA (0.70) LMNAHPGDMEN1KMT2ARAB9A
SCHEMBL9167382 0.88 PLA2G2A (0.58) LMNAHPGDMEN1KMT2ANPC1
SCHEMBL31007012 0.88 PLA2G2A (0.58) LMNAHPGDMEN1KMT2ANPC1

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
US-5374772-A Skin disorders, antiinflammatory agents, cardiovascular disorders HOFFMANN-LAROCHE INC. (US) 1994-12-20 US disclosed
EP-0601385-A1 Disubstituted benzoic acid derivatives F. HOFFMANN-LA ROCHE AG (CH) 1994-06-15 EP disclosed