SCHEMBL9323949

SCHEMBL9323949

O=C(O)c1cc(OCCCOc2ccc(-c3ccccc3)cc2)cc(OCCCOc2ccc(-c3ccccc3)cc2)c1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PKM P14618 1/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
PLA2G2A P14555 1/20 0.55
HDAC1 Q13547 7/20 0.55
HDAC2 Q92769 7/20 0.55
HDAC3 O15379 6/20 0.55
HDAC4 P56524 6/20 0.55
HDAC7 Q8WUI4 6/20 0.55
HDAC10 Q969S8 6/20 0.55
HDAC11 Q96DB2 6/20 0.55
HDAC8 Q9BY41 6/20 0.55
HDAC6 Q9UBN7 6/20 0.55
HDAC9 Q9UKV0 6/20 0.55
HDAC5 Q9UQL6 6/20 0.55
RARB P10826 5/20 0.55
PPARG P37231 2/20 0.53
PPARD Q03181 2/20 0.53
PPARA Q07869 2/20 0.53
MMP3 P08254 1/20 0.53

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
SCHEMBL9326057 0.90 PLA2G2A (0.74) PLA2G2ARARB
SCHEMBL9325195 0.88 NR4A2 (0.59) PKMMEN1KMT2APLA2G2AHDAC1
SCHEMBL9324868 0.85 MAPT (0.61) PLA2G2AHDAC1HDAC2HDAC3HDAC4
SCHEMBL8086185 0.85 PKM (0.79) PKMRARB
SCHEMBL9323885 0.84 MEN1 (0.82) PKMMEN1KMT2A
SCHEMBL9324842 0.83 PLA2G2A (0.58) PKMMEN1KMT2APLA2G2A
SCHEMBL9325012 0.82 RXRA (0.56) PKMMEN1KMT2APLA2G2A
SCHEMBL7315727 0.81 PKM (0.79) PKMHDAC1HDAC2HDAC3HDAC4
SCHEMBL2673722 0.81 PKM (0.72) PKMMEN1KMT2APLA2G2A
SCHEMBL28529167 0.80 PLA2G2A (0.67) PKMMEN1KMT2APLA2G2ARARB

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