SCHEMBL19295727

SCHEMBL19295727

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C(=O)Oc3ccc(OC(=O)c4ccc(COc5ccc(B(O)O)cc5)cc4)c(C)c3C)cc2)cc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 4/20 0.38
▸ LMNA P02545 2/20 0.38
▸ CYP1A2 P05177 1/20 0.38
▸ CYP3A4 P08684 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ CYP2C9 P11712 1/20 0.38
▸ CYP2C19 P33261 1/20 0.38
▸ MAPT P10636 5/20 0.37
▸ SMN1; SMN2 Q16637 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ NFKB1 P19838 1/20 0.37
▸ NFKB2 Q00653 1/20 0.37
▸ RELA Q04206 1/20 0.37
▸ THRB P10828 3/20 0.37
▸ MAOB P27338 1/20 0.36
▸ RXRA P19793 1/20 0.36
▸ RXRB P28702 1/20 0.36
▸ RAB9A P51151 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ PRSS1 P07477 1/20 0.36

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
SCHEMBL19295714 1.00 NPC1 (0.38) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL16945726 0.98 THRB (0.38) NPC1MAPTSMN1; SMN2KMT2ATHRB
SCHEMBL17833478 0.98 THRB (0.38) NPC1MAPTSMN1; SMN2KMT2ATHRB
SCHEMBL19295737 0.95 NPC1 (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL19295711 0.95 NPC1 (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL19295720 0.92 THRB (0.41) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL14826285 0.92 THRB (0.43) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22361793 0.90 FFAR1 (0.35) NPC1MAPTSMN1; SMN2KMT2ATHRB
SCHEMBL22361660 0.90 FFAR1 (0.35) NPC1LMNAMAPTSMN1; SMN2KMT2A
SCHEMBL23045949 0.89 MAPT (0.35) NPC1LMNAMAPTSMN1; SMN2KMT2A

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 4 patents. 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
US-10294372-B2 Surface-modified inorganic substance, method for manufacturing surface-modified inorganic substance, method for modifying surface of inorganic substance with organic substance, heat dissipation material, thermally conductive material, and lubricant FUJIFILM CORPORATION (JP) 2019-05-21 — — US disclosed
US-20170247546-A1 SURFACE-MODIFIED INORGANIC SUBSTANCE, METHOD FOR MANUFACTURING SURFACE-MODIFIED INORGANIC SUBSTANCE, METHOD FOR MODIFYING SURFACE OF INORGANIC SUBSTANCE WITH ORGANIC SUBSTANCE, HEAT DISSIPATION MATERIAL, THERMALLY CONDUCTIVE MATERIAL, AND LUBRICANT FUJIFILM CORPORATION (JP) 2017-08-31 — — US disclosed
US-20170247546-A1 SURFACE-MODIFIED INORGANIC SUBSTANCE, METHOD FOR MANUFACTURING SURFACE-MODIFIED INORGANIC SUBSTANCE, METHOD FOR MODIFYING SURFACE OF INORGANIC SUBSTANCE WITH ORGANIC SUBSTANCE, HEAT DISSIPATION MATERIAL, THERMALLY CONDUCTIVE MATERIAL, AND LUBRICANT FUJIFILM CORPORATION (JP) 2017-08-31 — — US disclosed
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