SCHEMBL11535392

SCHEMBL11535392

CCCCCCCCCCCCOc1nc(OCCCCCCCCCCCC)nc(Oc2cc(-c3ccccc3)c(O)c(-c3ccccc3)c2)n1

nearest known ligand 0.53

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ SOAT1 P35610 1/20 0.53
▸ HDAC8 Q9BY41 2/20 0.42
▸ LTA4H P09960 1/20 0.41
▸ PTPN1 P18031 1/20 0.40
▸ PTPN11 Q06124 4/20 0.40
▸ THRA P10827 1/20 0.39
▸ THRB P10828 1/20 0.39
▸ NR5A1 Q13285 1/20 0.39
▸ BACE1 P56817 1/20 0.39
▸ LTB4R Q15722 3/20 0.39

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
SCHEMBL11572105 1.00 SOAT1 (0.53) SOAT1HDAC8LTA4HPTPN1PTPN11
SCHEMBL5991642 0.84 SOAT1 (0.52) SOAT1HDAC8LTA4HPTPN1PTPN11
SCHEMBL98132 0.84 SOAT1 (0.52) SOAT1HDAC8LTA4HPTPN1PTPN11
SCHEMBL39560 0.84 SOAT1 (0.52) SOAT1HDAC8LTA4HPTPN1PTPN11
SCHEMBL11535397 0.82 SOAT1 (0.41) SOAT1THRATHRBLTB4R
SCHEMBL11536931 0.78 BACE1 (0.54) BACE1
SCHEMBL5988283 0.78 BACE1 (0.53) SOAT1HDAC8LTA4HPTPN1PTPN11
SCHEMBL14971446 0.75 LTA4H (0.65) LTA4H
SCHEMBL6866588 0.73 HDAC8 (0.55) SOAT1HDAC8LTA4HPTPN1PTPN11
E319 SCHEMBL2009146 0.73 ALDH1A1 (0.44) SOAT1HDAC8PTPN1NR5A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4122270-A ANTIOXIDANT AKZONA INCORPORATED (US) 1978-10-24 — — US claimed
US-4147659-A HYDROXYPHENOXYTRIAZINES AKZONA INCORPORATED (US) 1979-04-03 — — US disclosed
US-4122270-A ANTIOXIDANT AKZONA INCORPORATED (US) 1978-10-24 — — US disclosed
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