SCHEMBL23153186

SCHEMBL23153186

CC(C)CC(C(=O)OCCCCOc1ccc(C(=O)Oc2ccc(BO)cc2)cc1)C(C)C

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 3/20 0.44
▸ LMNA P02545 3/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NFKB1 P19838 3/20 0.43
▸ NFKB2 Q00653 3/20 0.43
▸ RELA Q04206 3/20 0.43
▸ SMN1; SMN2 Q16637 2/20 0.43
▸ PRSS1 P07477 1/20 0.41
▸ ACR P10323 1/20 0.41
▸ MAPT P10636 6/20 0.40
▸ KMT2A Q03164 3/20 0.40
▸ RARB P10826 1/20 0.39
▸ L3MBTL1 Q9Y468 1/20 0.39
▸ HTT P42858 1/20 0.38
▸ MEN1 O00255 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38

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
SCHEMBL23153185 0.86 LMNA (0.43) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL21169020 0.86 NPC1 (0.43) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25793413 0.86 MAPT (0.47) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL21560925 0.81 RARB (0.59) RARBHTTMAPK1POLB
SCHEMBL21169022 0.80 LMNA (0.38) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22621670 0.79 NPC1 (0.39) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL23153188 0.78 PRSS1 (0.33) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25008908 0.78 KCNH2 (0.46) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24778792 0.78 MAPT (0.50) LMNASMN1; SMN2PRSS1ACRMAPT
SCHEMBL24969026 0.78 MAPT (0.45) LMNASMN1; SMN2PRSS1ACRMAPT

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-10961423-B2 Curable composition, thermally conductive material, and device with thermally conductive layer FUJIFILM CORPORATION (JP) 2021-03-30 — — US disclosed
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