SCHEMBL22419410

SCHEMBL22419410

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(O)c4ccc(B(O)O)cc4)c(C)c3C)cc2)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.35
▸ LMNA P02545 2/20 0.35
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2D6 P10635 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ MAPT P10636 8/20 0.34
▸ KMT2A Q03164 3/20 0.34
▸ SMN1; SMN2 Q16637 3/20 0.34
▸ NFKB1 P19838 2/20 0.34
▸ NFKB2 Q00653 2/20 0.34
▸ RELA Q04206 2/20 0.34
▸ THRB P10828 2/20 0.34
▸ PRSS1 P07477 1/20 0.33
▸ ACR P10323 1/20 0.33
▸ HTT P42858 2/20 0.33
▸ GAA P10253 2/20 0.32
▸ TP53 P04637 1/20 0.31
▸ MEN1 O00255 1/20 0.31

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
SCHEMBL19302434 0.95 THRB (0.35) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22361793 0.94 FFAR1 (0.35) NPC1MAPTKMT2ASMN1; SMN2THRB
SCHEMBL19295711 0.91 NPC1 (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL19295737 0.91 NPC1 (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22361660 0.91 FFAR1 (0.35) NPC1LMNAMAPTKMT2ASMN1; SMN2
SCHEMBL15356545 0.89 THRB (0.39) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL21793389 0.88 THRB (0.35) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL19295720 0.88 THRB (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL14826285 0.88 THRB (0.43) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22361792 0.87 ENPP2 (0.35) NPC1MAPTTHRBGAATP53

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-10774212-B2 Thermally conductive material, resin composition, and device FUJIFILM CORPORATION (JP) 2020-09-15 — — US disclosed
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