SCHEMBL13475877

SCHEMBL13475877

CCCCCCCCOc1ccc(C(=O)Oc2ccc(OC(=O)c3ccc(C[n+]4ccc(N(C)C)cc4)cc3)cc2)cc1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHKA P35790 2/20 0.59
▸ NPC1 O15118 3/20 0.55
▸ LMNA P02545 3/20 0.55
▸ NFKB1 P19838 3/20 0.55
▸ NFKB2 Q00653 3/20 0.55
▸ RELA Q04206 3/20 0.55
▸ SMN1; SMN2 Q16637 2/20 0.55
▸ CYP1A2 P05177 1/20 0.53
▸ CYP3A4 P08684 1/20 0.53
▸ CYP2D6 P10635 1/20 0.53
▸ CYP2C9 P11712 1/20 0.53
▸ CYP2C19 P33261 1/20 0.53
▸ MAPT P10636 2/20 0.48
▸ POLB P06746 1/20 0.48
▸ PRSS1 P07477 1/20 0.47
▸ ACR P10323 1/20 0.47
▸ TP53 P04637 1/20 0.47
▸ TSHR P16473 1/20 0.47
▸ KMT2A Q03164 1/20 0.46
▸ THRA P10827 1/20 0.46

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
SCHEMBL13930852 1.00 CHKA (0.59) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475883 1.00 CHKA (0.59) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475879 0.97 CHKA (0.56) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475882 0.93 MAPT (0.53) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475878 0.91 NPC1 (0.54) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475885 0.91 CHKA (0.51) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475884 0.90 CHKA (0.59) CHKANPC1LMNANFKB1NFKB2
SCHEMBL9999731 0.90 NPC1 (0.58) NPC1LMNANFKB1NFKB2RELA
SCHEMBL13475871 0.90 NPC1 (0.58) CHKANPC1LMNANFKB1NFKB2
SCHEMBL13475862 0.90 NPC1 (0.58) CHKANPC1LMNANFKB1NFKB2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7658864-B2 Liquid crystal composition, optical compensation film and liquid crystal display device FUJIFILM CORPORATION (JP) 2010-02-09 — — US disclosed
US-20090040435-A1 LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2009-02-12 — — US disclosed
US-20090009693-A1 Liquid Crystal Composition, Optical Compensation Film and Liquid Crystal Display Device FUJIFILM CORPORATION (JP) 2009-01-08 — — US disclosed
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