SCHEMBL13533994

SCHEMBL13533994

C=CC(=O)OCCCCCOc1ccc(C(=O)Oc2ccc(-c3ccc(CO)cc3)cc2)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 3/20 0.45
▸ THRB P10828 3/20 0.45
▸ SMN1; SMN2 Q16637 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ LMNA P02545 2/20 0.44
▸ NFKB1 P19838 1/20 0.44
▸ NFKB2 Q00653 1/20 0.44
▸ RELA Q04206 1/20 0.44
▸ CYP3A4 P08684 2/20 0.44
▸ ALDH1A1 P00352 2/20 0.44
▸ TSHR P16473 1/20 0.44
▸ MAPT P10636 5/20 0.43
▸ CYP1A2 P05177 1/20 0.43
▸ CYP2D6 P10635 1/20 0.43
▸ CYP2C9 P11712 1/20 0.43
▸ CYP2C19 P33261 1/20 0.43
▸ RARB P10826 3/20 0.42
▸ PRSS1 P07477 1/20 0.40
▸ ACR P10323 1/20 0.40
▸ POLB P06746 1/20 0.40

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
SCHEMBL8088145 0.96 HTT (0.48) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL14088555 0.94 HTT (0.50) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL17301205 0.94 HTT (0.50) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL17301220 0.94 HTT (0.50) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL14075597 0.94 HTT (0.50) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL17301211 0.94 HTT (0.50) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL12650347 0.94 HTT (0.50) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL10078026 0.93 THRB (0.51) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL14346692 0.93 THRB (0.51) HTTTHRBSMN1; SMN2NPC1LMNA
SCHEMBL25501125 0.93 THRB (0.51) HTTTHRBSMN1; SMN2NPC1LMNA

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-7643109-B2 Color filter substrate and liquid crystal display panel DAI NIPPON PRINTING CO., LTD. (JP) 2010-01-05 — — US disclosed
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