SCHEMBL7796115

SCHEMBL7796115

CC(C)OCc1cccc(C(=O)O)c1COC(C)C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MRGPRX4 Q96LA9 4/20 0.41
▸ CLCN2 P51788 1/20 0.39
▸ HMGB1 P09429 1/20 0.38
▸ ALDH1A1 P00352 6/20 0.38
▸ TP53 P04637 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ FOLH1 Q04609 2/20 0.38
▸ ALOX15 P16050 1/20 0.36
▸ KDM4E B2RXH2 2/20 0.36
▸ HPGD P15428 2/20 0.36
▸ HSD17B10 Q99714 2/20 0.36
▸ CYP2C9 P11712 1/20 0.35
▸ HIF1A Q16665 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ HDAC8 Q9BY41 1/20 0.35

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
SCHEMBL8169851 0.85 TP53 (0.51) MRGPRX4CLCN2ALDH1A1TP53HTT
SCHEMBL4962856 0.80 PTPN1 (0.37) —
SCHEMBL28144026 0.75 MRGPRX4 (0.43) MRGPRX4ALDH1A1HTTKDM4EHPGD
SCHEMBL27496686 0.73 IRAK4 (0.53) ALDH1A1HTTKDM4EHPGDHSD17B10
SCHEMBL27995890 0.73 LDHA (0.40) ALDH1A1
SCHEMBL10876108 0.72 FOLH1 (0.54) ALDH1A1TP53HTTFOLH1ALOX15
SCHEMBL27594911 0.72 CA12 (0.47) ALDH1A1HSD17B10MAPT
SCHEMBL1441429 0.72 BCAT2 (0.60) ALDH1A1TP53HTTKDM4EHPGD
SCHEMBL361119 0.71 GABRA1 (0.50) CLCN2HMGB1ALDH1A1FOLH1ALOX15
SCHEMBL578127 0.71 CLCN2 (0.56) MRGPRX4CLCN2HMGB1ALDH1A1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0906268-B1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS AVENTIS PHARMA INC (US) 2001-11-28 — — EP disclosed
US-6004959-A HYPOTENSIVE, ANTITUMOR, ANTIINFLAMMATORY AND ANTIASTHMATIC AGENTS; ANGIOGENESIS AND ALVEOLAR MACROPHAGE ACTIVATION INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-12-21 — — US disclosed
EP-0906268-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1999-04-07 — — EP disclosed
WO-1997045397-A1 ALKYLOXYAMINO SUBSTITUTED FLUORENONES AND THEIR USE AS PROTEIN KINASE C INHIBITORS HOECHST MARION ROUSSEL, INC. (US) 1997-12-04 — — WO disclosed
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