SCHEMBL19844264

SCHEMBL19844264

C=CC(=O)OCCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(CCC)cc3)c(CN)c2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 3/20 0.44
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ THRB P10828 5/20 0.43
▸ PRSS1 P07477 2/20 0.40
▸ ACR P10323 2/20 0.40
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ NFKB1 P19838 1/20 0.39
▸ NFKB2 Q00653 1/20 0.39
▸ RELA Q04206 1/20 0.39
▸ PTPN11 Q06124 2/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37
▸ CYP2C9 P11712 1/20 0.37
▸ CYP2C19 P33261 1/20 0.37
▸ RARB P10826 3/20 0.37
▸ KMT2A Q03164 2/20 0.37
▸ FFAR1 O14842 1/20 0.36
▸ FFAR4 Q5NUL3 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
SCHEMBL19497907 0.87 MAPT (0.45) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL18200278 0.86 MAPT (0.44) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL19497953 0.86 MAPT (0.46) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL19497864 0.85 MAPT (0.45) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL16379472 0.85 THRB (0.60) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL12114898 0.85 THRB (0.60) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL18200227 0.85 THRB (0.60) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL16379476 0.85 THRB (0.60) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL19497950 0.84 MAPT (0.46) MAPTSMN1; SMN2THRBPRSS1ACR
SCHEMBL14907484 0.84 THRB (0.59) MAPTSMN1; SMN2THRBPRSS1ACR

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-20180037817-A1 POLYMERIZABLE COMPOSITION AND OPTICALLY ANISOTROPIC BODY DIC CORPORATION (JP) 2018-02-08 — — US disclosed
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