SCHEMBL12966540

SCHEMBL12966540

CN(C)N=Nc1ccc(Cc2ccc(OCCC(=O)O)cc2)cc1

nearest known ligand 0.60

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ LTA4H P09960 17/20 0.60
▸ L3MBTL1 Q9Y468 2/20 0.50
▸ LMNA P02545 1/20 0.49
▸ NPC1 O15118 1/20 0.44
▸ MAPT P10636 1/20 0.44
▸ RAB9A P51151 1/20 0.44

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
SCHEMBL38663 0.87 PPARA (0.51) LTA4HL3MBTL1LMNANPC1MAPT
SCHEMBL43048 0.87 PPARA (0.51) LTA4HL3MBTL1LMNANPC1MAPT
SCHEMBL12966549 0.85 ALDH1A1 (0.48) LTA4HL3MBTL1LMNANPC1MAPT
SCHEMBL12966531 0.84 L3MBTL1 (0.47) LTA4HL3MBTL1LMNANPC1MAPT
SCHEMBL12117110 0.81 L3MBTL1 (0.67) LTA4HL3MBTL1LMNA
SCHEMBL12966546 0.81 PPARA (0.57) LTA4HL3MBTL1LMNANPC1MAPT
SCHEMBL12966674 0.80 PPARA (0.63) LTA4HL3MBTL1NPC1MAPTRAB9A
SCHEMBL12966547 0.78 ALDH1A1 (0.46) LTA4HL3MBTL1LMNANPC1MAPT
SCHEMBL12966535 0.76 PPARA (0.58) —
SCHEMBL12966537 0.76 CYP1A2 (0.46) NPC1MAPTRAB9A

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
WO-2012130850-A1 TISSUE TARGETING BY MEANS OF ONCOCIDAL BRIDGED DIPHENYL DERIVATIVES FOR THE SELECTIVE TREATMENT OF SEXUAL ORGAN TUMORS BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-10-04 — — WO disclosed
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