SCHEMBL16746199

SCHEMBL16746199

C=CC(=O)OCCCCOc1ccc(CCC(=O)OC2CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.42
▸ ITGA2B P08514 4/20 0.42
▸ THRB P10828 3/20 0.39
▸ LMNA P02545 1/20 0.38
▸ L3MBTL1 Q9Y468 1/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ P2RY10 O00398 1/20 0.37
▸ S1PR4 O95977 1/20 0.35
▸ S1PR1 P21453 1/20 0.35
▸ S1PR3 Q99500 1/20 0.35
▸ KDM4E B2RXH2 1/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ FFAR1 O14842 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
SCHEMBL16425392 0.99 ITGB3 (0.41) ITGB3ITGA2BTHRBLMNAL3MBTL1
SCHEMBL16425393 0.94 ITGB3 (0.44) ITGB3ITGA2BTHRBHPGDTSHR
SCHEMBL16657534 0.91 THRB (0.40) ITGB3ITGA2BTHRBLMNAL3MBTL1
SCHEMBL16425394 0.86 POLB (0.45) ITGB3ITGA2BLMNAL3MBTL1TSHR
SCHEMBL16657535 0.86 THRB (0.43) ITGB3ITGA2BTHRBLMNAL3MBTL1
SCHEMBL14907552 0.85 THRB (0.47) ITGB3ITGA2BTHRBLMNAL3MBTL1
SCHEMBL16425384 0.85 PTPN2 (0.41) THRBL3MBTL1HPGDTSHR
SCHEMBL12087289 0.84 PTPN2 (0.43) THRBHPGDTSHR
SCHEMBL3477740 0.83 NAAA (0.45) THRBHPGDTSHR
SCHEMBL16133502 0.83 PTPN2 (0.42) THRBHPGDTSHR

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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