SCHEMBL16425394

SCHEMBL16425394

C=C(C)C(=O)OCCCCCCOc1ccc(CCC(=O)OC2CCC(C3CCC(CCC)CC3)CC2)cc1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.45
▸ APEX1 P27695 1/20 0.45
▸ HTT P42858 1/20 0.45
▸ TDP1 Q9NUW8 1/20 0.45
▸ ITGB3 P05106 1/20 0.41
▸ ITGA2B P08514 1/20 0.41
▸ P2RY10 O00398 4/20 0.38
▸ TSHR P16473 2/20 0.38
▸ LMNA P02545 1/20 0.37
▸ L3MBTL1 Q9Y468 1/20 0.37
▸ S1PR4 O95977 2/20 0.37
▸ S1PR1 P21453 2/20 0.37
▸ S1PR3 Q99500 2/20 0.37
▸ KDM4E B2RXH2 1/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ GPR174 Q9BXC1 3/20 0.35
▸ S1PR5 Q9H228 1/20 0.35

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
SCHEMBL16425385 0.95 ITGB3 (0.44) POLBAPEX1HTTTDP1ITGB3
SCHEMBL16900322 0.94 ITGB3 (0.45) POLBAPEX1HTTTDP1ITGB3
SCHEMBL16425392 0.88 ITGB3 (0.41) ITGB3ITGA2BP2RY10TSHRLMNA
SCHEMBL16746199 0.86 ITGB3 (0.42) ITGB3ITGA2BP2RY10TSHRLMNA
SCHEMBL16425383 0.85 HTT (0.54) POLBAPEX1HTTTDP1TSHR
SCHEMBL3476406 0.85 TSHR (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL3477432 0.82 TSHR (0.43) POLBAPEX1HTTTDP1TSHR
SCHEMBL16425393 0.82 ITGB3 (0.44) ITGB3ITGA2BP2RY10TSHRS1PR4
SCHEMBL10533594 0.81 TDP1 (0.45) POLBAPEX1HTTTDP1L3MBTL1
SCHEMBL10534912 0.80 POLB (0.52) POLBAPEX1HTTTDP1TSHR

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-9080100-B2 Polymerizable liquid crystal composition JNC CORPORATION (JP) 2015-07-14 — — US disclosed
US-20150029446-A1 POLYMERIZABLE LIQUID CRYSTAL COMPOSITION AND OPTICAL ANISOTROPIC FILM JNC PETROCHEMICAL CORPORATION (JP) 2015-01-29 — — US disclosed
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