SCHEMBL16746203

SCHEMBL16746203

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(C3CCC(CCC)CC3)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP2C9 P11712 2/20 0.48
▸ MAPT P10636 5/20 0.47
▸ LMNA P02545 3/20 0.47
▸ ALDH1A1 P00352 2/20 0.47
▸ NPC1 O15118 2/20 0.44
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ PRSS1 P07477 1/20 0.42
▸ ACR P10323 1/20 0.42
▸ KMT2A Q03164 4/20 0.42
▸ MEN1 O00255 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ RAB9A P51151 1/20 0.41
▸ HPGD P15428 2/20 0.40

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
SCHEMBL2641379 0.99 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL20917581 0.99 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL16746205 0.99 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL9999859 0.99 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL6720160 0.99 CYP2C9 (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL11917946 0.98 CYP2C9 (0.48) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL14907432 0.98 CYP2C9 (0.48) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL16425795 0.95 PRSS1 (0.46) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL14907518 0.94 LMNA (0.47) CYP2C9MAPTLMNAALDH1A1NPC1
SCHEMBL16133513 0.94 LMNA (0.47) CYP2C9MAPTLMNAALDH1A1NPC1

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-9399736-B2 Optically anisotropic substance and liquid crystal display JNC CORPORATION (JP) 2016-07-26 — — US disclosed
US-20150146156-A1 OPTICALLY ANISOTROPIC SUBSTANCE AND LIQUID CRYSTAL DISPLAY JNC CORPORATION (JP) 2015-05-28 — — US disclosed
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