SCHEMBL7091899

SCHEMBL7091899

CCCCCCCCCCOc1ccc(-c2cnc(-c3ccc(OC(=O)C(C)CCCC(C)C)cc3)nc2)cc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RARB P10826 4/20 0.50
▸ NPC1 O15118 8/20 0.46
▸ SMN1; SMN2 Q16637 4/20 0.46
▸ LMNA P02545 4/20 0.46
▸ NFKB1 P19838 3/20 0.46
▸ NFKB2 Q00653 3/20 0.46
▸ RELA Q04206 3/20 0.46
▸ RAB9A P51151 5/20 0.45
▸ KDM4E B2RXH2 2/20 0.45
▸ HSD17B10 Q99714 2/20 0.45
▸ MAPT P10636 2/20 0.45
▸ POLB P06746 1/20 0.45
▸ CYP1A2 P05177 1/20 0.44
▸ CYP3A4 P08684 1/20 0.44
▸ CYP2D6 P10635 1/20 0.44
▸ CYP2C9 P11712 1/20 0.44
▸ CYP2C19 P33261 1/20 0.44
▸ TP53 P04637 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ ALDH1A1 P00352 1/20 0.43

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
SCHEMBL7093920 1.00 RARB (0.50) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427335 0.95 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7090897 0.95 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427334 0.95 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427086 0.95 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7092579 0.93 RARB (0.42) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL10427130 0.93 RARB (0.52) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7090940 0.92 MAPT (0.49) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7785429 0.92 RARB (0.44) RARBNPC1SMN1; SMN2LMNANFKB1
SCHEMBL7791071 0.90 RARB (0.45) RARBNPC1SMN1; SMN2LMNANFKB1

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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