SCHEMBL19853934

SCHEMBL19853934

CCCCCc1ccc(CCCCC2CCC(C3CCC(C(CCO)CCOC(=O)CC)CC3)CC2)cc1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ITGB3 P05106 4/20 0.37
▸ ITGA2B P08514 4/20 0.37
▸ SPHK1 Q9NYA1 5/20 0.36
▸ SPHK2 Q9NRA0 1/20 0.36
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 2/20 0.35
▸ MEN1 O00255 1/20 0.35
▸ USP2 O75604 1/20 0.35
▸ LMNA P02545 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ CASP1 P29466 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ SLCO1B3 Q9NPD5 1/20 0.35
▸ SLCO1B1 Q9Y6L6 1/20 0.35
▸ S1PR1 P21453 5/20 0.34
▸ S1PR3 Q99500 4/20 0.34
▸ S1PR4 O95977 3/20 0.34
▸ S1PR5 Q9H228 2/20 0.34
▸ S1PR2 O95136 2/20 0.33

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
SCHEMBL21398449 0.88 THRB (0.37) ITGB3ITGA2BSPHK1SPHK2KMT2A
SCHEMBL19856153 0.84 ITGB3 (0.37) ITGB3ITGA2BSPHK1SPHK2ALDH1A1
SCHEMBL21398436 0.81 THRB (0.36) ITGB3ITGA2BSPHK1SPHK2S1PR1
SCHEMBL19853948 0.76 THRA (0.34) ITGB3ITGA2BSPHK1SPHK2THRA
SCHEMBL19856237 0.75 S1PR3 (0.46) CYP3A4S1PR1S1PR3S1PR4S1PR5
SCHEMBL19855704 0.74 TSHR (0.41) THRB
SCHEMBL19853916 0.74 SPHK1 (0.34) ITGB3ITGA2BSPHK1SPHK2KMT2A
SCHEMBL21398462 0.74 SPHK1 (0.41) SPHK1SPHK2
SCHEMBL21398612 0.72 THRB (0.35) ITGB3ITGA2BSPHK1SPHK2KMT2A
SCHEMBL9186608 0.72 MEN1 (0.50) ITGB3ITGA2BKMT2AALDH1A1MEN1

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
WO-2018025974-A1 LIQUID-CRYSTAL DISPLAY ELEMENT AND DISPLAY DEVICE JNC株式会社 2018-02-08 — — WO disclosed
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