SCHEMBL25138384

SCHEMBL25138384

C=CC(=O)OCCCCOc1ccc(C(=O)Cc2ccc(C(=O)OCCCCCCCCCOC(=O)c3ccc(OC(=O)c4ccc(OCCCCOC(=O)C=C)cc4)cc3)cc2)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.44
▸ THRB P10828 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ LMNA P02545 2/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ MAPT P10636 4/20 0.43
▸ ALDH1A1 P00352 3/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ HPGD P15428 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ TSHR P16473 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ PRSS1 P07477 1/20 0.39

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
SCHEMBL25138398 1.00 HTT (0.44) HTTTHRBNPC1LMNANFKB1
SCHEMBL25138400 1.00 HTT (0.44) HTTTHRBNPC1LMNANFKB1
SCHEMBL25138399 0.98 THRB (0.43) HTTTHRBNPC1LMNANFKB1
SCHEMBL24134684 0.98 THRB (0.46) HTTTHRBNPC1LMNANFKB1
SCHEMBL29343551 0.97 THRB (0.46) HTTTHRBNPC1LMNANFKB1
SCHEMBL25138375 0.95 THRB (0.43) HTTTHRBNPC1LMNANFKB1
SCHEMBL14426396 0.93 KMT2A (0.45) HTTTHRBNPC1LMNANFKB1
SCHEMBL8365968 0.91 ALDH1A1 (0.51) HTTTHRBNPC1LMNANFKB1
SCHEMBL19978534 0.91 ALDH1A1 (0.51) HTTTHRBNPC1LMNANFKB1
SCHEMBL10078012 0.91 ALDH1A1 (0.51) HTTTHRBNPC1LMNANFKB1

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
US-20230123608-A1 OPTICAL ELEMENT, LIGHT GUIDE ELEMENT, AND LIQUID CRYSTAL COMPOSITION FUJIFILM CORPORATION (JP) 2023-04-20 — — US disclosed
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