SCHEMBL24726699

SCHEMBL24726699

C=CC(=O)OCCCCOc1ccc(C(=O)Oc2ccc(OC(O)c3ccc(OCCCCOC(=O)C=C)cc3)cc2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ THRB P10828 1/20 0.44
▸ NPC1 O15118 3/20 0.42
▸ HTT P42858 3/20 0.42
▸ LMNA P02545 2/20 0.42
▸ CYP3A4 P08684 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ CYP2D6 P10635 1/20 0.42
▸ CYP2C9 P11712 1/20 0.42
▸ CYP2C19 P33261 1/20 0.42
▸ NFKB1 P19838 2/20 0.41
▸ NFKB2 Q00653 2/20 0.41
▸ RELA Q04206 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ ALDH1A1 P00352 3/20 0.40
▸ TSHR P16473 2/20 0.40
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ MAPT P10636 5/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ L3MBTL1 Q9Y468 2/20 0.38

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
SCHEMBL23487534 0.99 HTT (0.44) THRBNPC1HTTLMNACYP3A4
SCHEMBL21555207 0.98 THRB (0.44) THRBNPC1HTTLMNACYP3A4
SCHEMBL19982369 0.97 THRB (0.41) THRBNPC1HTTLMNACYP3A4
SCHEMBL19824803 0.95 NPC1 (0.41) THRBNPC1HTTLMNACYP3A4
SCHEMBL21469990 0.95 THRB (0.41) THRBNPC1HTTLMNACYP3A4
SCHEMBL20792916 0.94 NPC1 (0.42) THRBNPC1HTTLMNACYP3A4
SCHEMBL20653354 0.93 NPC1 (0.43) THRBNPC1HTTLMNACYP3A4
SCHEMBL15356545 0.93 THRB (0.39) THRBNPC1HTTLMNACYP3A4
SCHEMBL20653366 0.88 HTT (0.55) THRBHTTCYP3A4ALDH1A1TSHR
SCHEMBL21469927 0.88 THRB (0.37) THRBNPC1HTTLMNACYP3A4

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-20220333013-A1 CHOLESTERIC LIQUID CRYSTAL FILM FUJIFILM CORPORATION (JP) 2022-10-20 — — US disclosed
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