SCHEMBL18774148

SCHEMBL18774148

CCCOc1ccc(/N=C2/C(=O)C3=C(OC(C)(C)CC3)c3ccccc32)cc1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MALT1 Q9UDY8 9/20 0.55
▸ MAPT P10636 6/20 0.55
▸ ALDH1A1 P00352 4/20 0.55
▸ IDO1 P14902 2/20 0.55
▸ TP53 P04637 2/20 0.55
▸ MEN1 O00255 2/20 0.55
▸ KMT2A Q03164 2/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ KDM4E B2RXH2 1/20 0.55
▸ CES2 O00748 1/20 0.55
▸ GMNN O75496 1/20 0.55
▸ TDP2 O95551 1/20 0.55
▸ LMNA P02545 1/20 0.55
▸ CYP1A2 P05177 1/20 0.55
▸ GLA P06280 1/20 0.55
▸ CYP3A4 P08684 1/20 0.55
▸ CYP2D6 P10635 1/20 0.55
▸ HSPD1 P10809 1/20 0.55
▸ THRB P10828 1/20 0.55
▸ CYP2C9 P11712 1/20 0.55

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
SCHEMBL883642 0.92 MALT1 (0.53) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL12473165 0.87 MALT1 (0.61) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL18774056 0.84 MALT1 (0.65) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL12473069 0.84 MALT1 (0.65) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL12473212 0.84 MALT1 (0.68) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL12473163 0.82 MALT1 (0.62) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL6033559 0.82 MALT1 (0.53) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL6033555 0.82 MALT1 (0.53) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL18774057 0.81 MALT1 (0.60) MALT1MAPTALDH1A1IDO1TP53
SCHEMBL12473035 0.80 MALT1 (0.61) MALT1MAPTALDH1A1IDO1TP53

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
US-9631041-B2 PH-sensitive compositions for delivery of beta lapachone and methods of use THE BOARD OF REGENTS OF THE UNIVERSITY OF TEXAS SYSTEM (US) 2017-04-25 — — US disclosed
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