SCHEMBL14062871

SCHEMBL14062871

N#Cc1ccc2cc(OC(=O)c3ccc(OCOCC4CO4)cc3)ccc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SLC6A2 P23975 4/20 0.41
▸ SLC6A4 P31645 4/20 0.41
▸ SLC6A3 Q01959 2/20 0.41
▸ HTR3A P46098 1/20 0.40
▸ KCNH2 Q12809 1/20 0.40
▸ PRSS1 P07477 2/20 0.39
▸ ACR P10323 1/20 0.39
▸ MAPT P10636 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ TDP1 Q9NUW8 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.37
▸ KDM2B Q8NHM5 5/20 0.37
▸ F2 P00734 1/20 0.36
▸ PLG P00747 1/20 0.36
▸ PLAU P00749 1/20 0.36
▸ KLKB1 P03952 1/20 0.36
▸ APLNR P35414 1/20 0.36
▸ CA12 O43570 1/20 0.36
▸ CA9 Q16790 1/20 0.36

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
SCHEMBL14062890 0.92 SLC6A2 (0.46) SLC6A2SLC6A4SLC6A3HTR3AKCNH2
SCHEMBL13932714 0.90 ALDH1A1 (0.44) PRSS1ACRMAPTALDH1A1F2
SCHEMBL17431008 0.86 TP53 (0.43) MAPTMEN1KMT2AALDH1A1F2
SCHEMBL14062914 0.85 KMT2A (0.40) SLC6A4SLC6A3HTR3AKCNH2PRSS1
SCHEMBL16172286 0.84 ALDH1A1 (0.44) PRSS1ACRMAPTMEN1KMT2A
SCHEMBL13788564 0.84 ALDH1A1 (0.44) PRSS1ACRMAPTMEN1KMT2A
SCHEMBL23386320 0.83 ALDH1A1 (0.50) SLC6A4SLC6A3HTR3AKCNH2PRSS1
SCHEMBL14063054 0.83 LMNA (0.43) PRSS1ACRMAPTMEN1KMT2A
SCHEMBL13932715 0.83 CACNA1H (0.38) ALDH1A1
SCHEMBL13932713 0.81 ALDH1A1 (0.34) PRSS1ACRMAPTMEN1KMT2A

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-7425354-B2 Photopolymerizable liquid crystal composition, its polymer or polymer composition, and optical compensation element CHISSO CORPORATION (JP) 2008-09-16 — — US disclosed
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