SCHEMBL19789587

SCHEMBL19789587

C=CC(=O)OCCCCCCOc1ccc(C(O)Oc2ccc(CCC3CCC(CCC)CC3)cc2)cc1

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 3/20 0.39
▸ ITGB3 P05106 6/20 0.38
▸ ITGA2B P08514 6/20 0.38
▸ HPGD P15428 1/20 0.38
▸ TSHR P16473 1/20 0.38
▸ S1PR5 Q9H228 3/20 0.36
▸ S1PR4 O95977 2/20 0.36
▸ S1PR1 P21453 2/20 0.36
▸ S1PR3 Q99500 2/20 0.36
▸ LMNA P02545 1/20 0.35
▸ ITGAV P06756 1/20 0.35
▸ CHRM2 P08172 1/20 0.35
▸ SLC6A4 P31645 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
SCHEMBL14907552 0.89 THRB (0.47) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL19789528 0.88 FAAH (0.35) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL14907487 0.83 THRB (0.45) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL19789524 0.81 THRB (0.44) THRBTSHR
SCHEMBL13220826 0.80 ITGB3 (0.49) THRBITGB3ITGA2BTSHRITGAV
SCHEMBL25500990 0.80 THRB (0.50) THRBHPGDTSHRS1PR5S1PR4
SCHEMBL1533011 0.79 CYP2C9 (0.49) THRBHPGDTSHRS1PR3LMNA
SCHEMBL1533002 0.79 CYP2C9 (0.49) THRBHPGDTSHRS1PR3LMNA
SCHEMBL1533013 0.79 CYP2C9 (0.49) THRBHPGDTSHRS1PR3LMNA
SCHEMBL1533004 0.79 CYP2C9 (0.49) THRBHPGDTSHRS1PR3LMNA

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
EP-2771735-B1 SWITCH ELEMENT COMPRISING A LIQUID CRYSTALLINE MEDIUM MERCK PATENT GMBH (DE) 2018-01-24 — — EP disclosed
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