SCHEMBL20089571

SCHEMBL20089571

C=CC(=O)OCCCCOCC(COc1ccc(C(=O)Oc2ccc(CCOC(=O)c3ccc(OCCCOC(=O)C=C)cc3)cc2)cc1)OC(C)C=C

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.38
LMNA P02545 3/20 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 7/20 0.37
THRB P10828 3/20 0.37
KMT2A Q03164 3/20 0.37
MEN1 O00255 1/20 0.37
ALDH1A1 P00352 1/20 0.37
HPGD P15428 1/20 0.37
SMN1; SMN2 Q16637 4/20 0.37
NFKB1 P19838 3/20 0.37
NFKB2 Q00653 3/20 0.37
RELA Q04206 3/20 0.37
RAB9A P51151 1/20 0.36
PRSS1 P07477 1/20 0.34
ACR P10323 1/20 0.34

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
SCHEMBL19929461 0.89 THRB (0.38) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20672698 0.83 THRB (0.49) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20616102 0.83 THRB (0.49) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL18353288 0.83 THRB (0.49) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL12374423 0.83 THRB (0.49) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20616070 0.82 THRB (0.48) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20616090 0.82 THRB (0.48) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL22138769 0.82 THRB (0.48) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20615639 0.82 THRB (0.48) NPC1LMNACYP1A2CYP3A4CYP2D6
SCHEMBL20615638 0.82 THRB (0.48) NPC1LMNACYP1A2CYP3A4CYP2D6

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-20180112022-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC MATERIAL DIC CORPORATION (JP) 2018-04-26 US disclosed
US-20180112022-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC MATERIAL DIC CORPORATION (JP) 2018-04-26 US disclosed