SCHEMBL26691387

SCHEMBL26691387

C=CC(=O)OCCCCCCOc1ccc(C(=O)OCc2ccc(OC(=O)c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 3/20 0.51
▸ MEN1 O00255 2/20 0.51
▸ LMNA P02545 4/20 0.45
▸ SMN1; SMN2 Q16637 3/20 0.44
▸ TSHR P16473 3/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ ESR1 P03372 1/20 0.44
▸ MAPK1 P28482 1/20 0.44
▸ NR1H2 P55055 1/20 0.44
▸ RNASEL Q05823 1/20 0.44
▸ HTT P42858 1/20 0.44
▸ THRB P10828 1/20 0.43
▸ NPC1 O15118 3/20 0.43
▸ NFKB1 P19838 1/20 0.43
▸ NFKB2 Q00653 1/20 0.43
▸ RELA Q04206 1/20 0.43
▸ CYP3A4 P08684 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.42

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
SCHEMBL1500554 0.97 HTT (0.46) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL16996731 0.94 HTT (0.44) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL16996738 0.94 HTT (0.44) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL17995563 0.93 THRB (0.47) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL28399672 0.93 THRB (0.47) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL12510630 0.93 HTT (0.49) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL223268 0.93 HTT (0.49) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL12794263 0.93 HTT (0.49) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL14280595 0.93 HTT (0.49) KMT2AMEN1LMNASMN1; SMN2TSHR
SCHEMBL12768610 0.93 HTT (0.49) KMT2AMEN1LMNASMN1; SMN2TSHR

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-20230383187-A1 Mesogen Compounds TRANSITIONS OPTICAL, LTD. (IE) 2023-11-30 — — US disclosed
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