SCHEMBL19789528

SCHEMBL19789528

C=CC(=O)OCCCCCCCCCCCOc1ccc(C(O)Oc2ccc(CCC3CCC(CCC)CC3)cc2F)cc1

nearest known ligand 0.35

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ FAAH O00519 2/20 0.35
▸ THRB P10828 3/20 0.34
▸ ITGB3 P05106 5/20 0.33
▸ ITGA2B P08514 5/20 0.33
▸ PPARG P37231 5/20 0.33
▸ PPARA Q07869 3/20 0.33
▸ HPGD P15428 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ PPARD Q03181 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ PTGES O14684 1/20 0.32
▸ ALOX5 P09917 1/20 0.32
▸ S1PR5 Q9H228 1/20 0.32

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
SCHEMBL19789587 0.88 THRB (0.39) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL14907498 0.86 FAAH (0.39) FAAHTHRBHPGDTSHR
SCHEMBL14907444 0.86 FAAH (0.39) FAAHTHRBHPGDTSHR
SCHEMBL14907552 0.82 THRB (0.47) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL14088541 0.82 FAAH (0.40) FAAHTHRBITGB3ITGA2BTSHR
SCHEMBL19789602 0.79 TSHR (0.43) FAAHTHRBHPGDTSHR
SCHEMBL14088542 0.79 FAAH (0.41) FAAHTHRBITGB3ITGA2BPPARG
SCHEMBL14907440 0.79 RARB (0.43) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL14907487 0.76 THRB (0.45) THRBITGB3ITGA2BHPGDTSHR
SCHEMBL14907500 0.74 THRB (0.46) FAAHTHRBHPGDTSHR

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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