SCHEMBL7092579

SCHEMBL7092579

CCCCCCCCCCOC(=O)Oc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)cc3)nc2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 5/20 0.42
▸ MAPT P10636 5/20 0.39
▸ ALDH1A1 P00352 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ NPC1 O15118 8/20 0.39
▸ SMN1; SMN2 Q16637 4/20 0.39
▸ LMNA P02545 4/20 0.39
▸ NFKB1 P19838 3/20 0.39
▸ NFKB2 Q00653 3/20 0.39
▸ RELA Q04206 3/20 0.39
▸ POLB P06746 1/20 0.39
▸ ACACB O00763 1/20 0.38
▸ RAB9A P51151 5/20 0.38
▸ KDM4E B2RXH2 2/20 0.38
▸ HSD17B10 Q99714 2/20 0.38
▸ CYP1A2 P05177 1/20 0.37
▸ CYP3A4 P08684 1/20 0.37
▸ CYP2D6 P10635 1/20 0.37

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
SCHEMBL7091380 0.95 RARB (0.44) RARBMAPTALDH1A1MEN1HPGD
SCHEMBL7091899 0.93 RARB (0.50) RARBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7093920 0.93 RARB (0.50) RARBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7090940 0.91 MAPT (0.49) RARBMAPTALDH1A1MEN1HPGD
SCHEMBL10427335 0.88 RARB (0.52) RARBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7090897 0.88 RARB (0.52) RARBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL10427334 0.88 RARB (0.52) RARBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL10427086 0.88 RARB (0.52) RARBMAPTALDH1A1NPC1SMN1; SMN2
SCHEMBL7088726 0.87 KMT2A (0.40) RARBMAPTALDH1A1MEN1KMT2A
SCHEMBL7093872 0.87 RARB (0.47) RARBMAPTALDH1A1MEN1HPGD

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
EP-0739884-B1 Liquid crystal compound and liquid crystal composition containing the same SEMICONDUCTOR ENERGY LAB (JP) 2003-08-13 — — EP disclosed
US-5716542-A Liquid crystal compound and liquid crystal composition containing the same TAKASAGO INTERNATIONAL CORPORATION (JP) 1998-02-10 — — US disclosed
EP-0739884-A2 Liquid crystal compound and liquid crystal composition containing the same Takasago International Corporation (JP) 1996-10-30 — — EP disclosed
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