SCHEMBL9186841

SCHEMBL9186841

O=C(O)CNC(=O)CNC(=O)CNC(=O)c1cccc(Oc2ccccc2)c1

nearest known ligand 0.60

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HDAC8 Q9BY41 1/20 0.60
▸ MMP1 P03956 1/20 0.58
▸ AKR1C3 P42330 1/20 0.54
▸ NPC1 O15118 1/20 0.53
▸ GPR139 Q6DWJ6 3/20 0.53
▸ ERCC5 P28715 1/20 0.52
▸ FEN1 P39748 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ SMN1; SMN2 Q16637 2/20 0.52
▸ HPGD P15428 2/20 0.52
▸ KDM4E B2RXH2 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ PKM P14618 1/20 0.51
▸ EGLN1 Q9GZT9 3/20 0.51
▸ LMNA P02545 2/20 0.51
▸ KAT6A Q92794 1/20 0.50
▸ THRA P10827 1/20 0.48
▸ THRB P10828 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
SCHEMBL9187790 0.94 HDAC8 (0.67) HDAC8MMP1AKR1C3NPC1ERCC5
SCHEMBL25363727 0.87 MMP1 (0.76) MMP1ALDH1A1SMN1; SMN2HPGDKDM4E
SCHEMBL27109591 0.85 HDAC8 (0.55) HDAC8MMP1AKR1C3NPC1ERCC5
SCHEMBL8782975 0.84 HDAC8 (0.69) HDAC8MMP1AKR1C3NPC1ERCC5
SCHEMBL7293621 0.82 KDM4E (0.59) MMP1GPR139SMN1; SMN2KDM4E
SCHEMBL7515133 0.82 KDM4E (0.59) MMP1GPR139SMN1; SMN2KDM4E
SCHEMBL27145544 0.82 HPGD (0.54) HDAC8MMP1AKR1C3NPC1GPR139
SCHEMBL1222467 0.81 MMP1 (0.74) MMP1ERCC5FEN1ALDH1A1SMN1; SMN2
SCHEMBL27144604 0.80 HPGD (0.49) HDAC8MMP1AKR1C3NPC1GPR139
SCHEMBL20898454 0.80 HPGD (0.55) HDAC8NPC1GPR139ALDH1A1SMN1; SMN2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0375439-B1 Geminal diphenyl derivatives and their use in immunoassays SYNTEX INC (US) 1995-09-06 — — EP disclosed
US-5378636-A M-phenoxybenzoylaminoethanesulfonic acid to inactivate interfering binding proteins in immunoassay SYNTEX (U.S.A.) INC. (US) 1995-01-03 — — US disclosed
US-5256575-A For inactivating interfering binding proteins SYNTEX (U.S.A.) INC. (US) 1993-10-26 — — US disclosed
US-5063165-A GEMINAL DIPHENYL DERIVATIVES AND THEIR USE IN IMMUNOASSAYS SYNTEX (U.S.A.) INC. (US) 1991-11-05 — — US disclosed
EP-0375439-A2 Geminal diphenyl derivatives and their use in immunoassays SYNTEX (U.S.A.) INC. (US) 1990-06-27 — — EP disclosed
Send feedback