SCHEMBL19669172

SCHEMBL19669172

C[C@H](Cc1ccc(O)c(O)c1)[C@@H](C)c1ccc(O)c(O)c1

nearest known ligand 0.72

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ALOX15 P16050 8/20 0.72
▸ ALOX12 P18054 7/20 0.72
▸ RECQL P46063 6/20 0.72
▸ KDM4E B2RXH2 6/20 0.72
▸ TDP1 Q9NUW8 5/20 0.72
▸ MAPT P10636 4/20 0.72
▸ KMT2A Q03164 3/20 0.72
▸ HIF1A Q16665 3/20 0.72
▸ HSD17B10 Q99714 3/20 0.72
▸ LMNA P02545 3/20 0.72
▸ MEN1 O00255 2/20 0.72
▸ ALDH1A1 P00352 2/20 0.72
▸ ESR1 P03372 2/20 0.72
▸ TP53 P04637 2/20 0.72
▸ CYP3A4 P08684 2/20 0.72
▸ HPGD P15428 2/20 0.72
▸ MAPK1 P28482 2/20 0.72
▸ NR3C1 P04150 2/20 0.72
▸ POLB P06746 2/20 0.72
▸ NFKB1 P19838 2/20 0.72

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
Nordihydroguaiaretic Acid SCHEMBL29434237 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
Masoprocol SCHEMBL3818 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
Masoprocol SCHEMBL29350884 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
Masoprocol SCHEMBL29355090 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
Nordihydroguaiaretic Acid SCHEMBL135976 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
Nordihydroguaiaretic Acid SCHEMBL29434238 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
Nordihydroguaiaretic Acid SCHEMBL13906133 0.85 ALOX15 (1.00) ALOX15ALOX12RECQLKDM4ETDP1
SCHEMBL13912408 0.84 ALOX15 (0.59) ALOX15ALOX12RECQLKDM4ETDP1
SCHEMBL6259718 0.83 ALOX15 (0.68) ALOX15ALOX12RECQLKDM4ETDP1
Masoprocol SCHEMBL28156467 0.83 ALOX15 (0.96) ALOX15ALOX12RECQLKDM4ETDP1

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-9834575-B2 Cancer therapy TRIACT THERAPEUTICS, INC. (US) 2017-12-05 — — US disclosed
US-9834575-B2 Cancer therapy TRIACT THERAPEUTICS, INC. (US) 2017-12-05 — — US disclosed
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