SCHEMBL29343545

SCHEMBL29343545

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(OCCCC)cc3)cc2C(=O)OC)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 3/20 0.45
LMNA P02545 2/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
MAPT P10636 7/20 0.44
KMT2A Q03164 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
NFKB1 P19838 1/20 0.44
NFKB2 Q00653 1/20 0.44
RELA Q04206 1/20 0.44
HPGD P15428 2/20 0.44
TSHR P16473 1/20 0.44
PRSS1 P07477 1/20 0.43
ACR P10323 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42

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
SCHEMBL26062557 0.98 NPC1 (0.47) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL26642397 0.98 NPC1 (0.47) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL24764456 0.98 NPC1 (0.47) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL19978524 0.97 MAPT (0.45) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL13785250 0.96 MAPT (0.44) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL25138440 0.95 NPC1 (0.49) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29343544 0.95 KMT2A (0.42) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20110394 0.95 MAPT (0.43) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL497301 0.94 MAPT (0.47) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL29343535 0.93 MAPT (0.46) NPC1LMNACYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240240086-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2024-07-18 US disclosed
US-20240240086-A1 LIQUID CRYSTAL COMPOSITION, LIQUID CRYSTAL CURED LAYER, OPTICAL FILM, POLARIZING PLATE, AND IMAGE DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2024-07-18 US disclosed