SCHEMBL9346325

SCHEMBL9346325

CC[C@H]1CC[C@H](C2CCC(C(C)c3ccccc3)CC2)CC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
GAA P10253 2/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
IDO1 P14902 2/20 0.36
ALDH1A1 P00352 3/20 0.36
HPGD P15428 1/20 0.36
SIGMAR1 Q99720 1/20 0.35
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
ALOX12 P18054 1/20 0.34
TACR1 P25103 1/20 0.34
PKM P14618 1/20 0.33
CTDSP1 Q9GZU7 1/20 0.33
FFAR1 O14842 1/20 0.33
CARM1 Q86X55 1/20 0.33
PRMT6 Q96LA8 1/20 0.33
MCOLN3 Q8TDD5 1/20 0.33

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
SCHEMBL9346796 0.95 GAA (0.41) GAAL3MBTL1IDO1ALDH1A1SIGMAR1
SCHEMBL16191465 0.95 GAA (0.41) GAAL3MBTL1IDO1ALDH1A1SIGMAR1
SCHEMBL7913831 0.87 GAA (0.36) GAAL3MBTL1IDO1ALDH1A1HPGD
SCHEMBL9349782 0.82 PKM (0.41) GAAL3MBTL1IDO1ALDH1A1PKM
SCHEMBL28046490 0.82 IDO1 (0.48) GAAL3MBTL1IDO1ALDH1A1MCOLN3
SCHEMBL10405701 0.82 IDO1 (0.48) GAAL3MBTL1IDO1ALDH1A1MCOLN3
SCHEMBL8483120 0.81 GAA (0.39) GAAL3MBTL1IDO1ALDH1A1SIGMAR1
SCHEMBL1031530 0.81 GAA (0.39) GAAL3MBTL1IDO1ALDH1A1SIGMAR1
SCHEMBL16191231 0.79 GAA (0.40) GAAL3MBTL1IDO1SIGMAR1FFAR1
SCHEMBL9344765 0.79 MAPT (0.41) GAAL3MBTL1IDO1HPGDMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0393636-B1 Liquid crystal composition and liquid crystal display using said composition CHISSO CORP (JP) 1994-07-20 EP disclosed
US-5258135-A Multiplexed displays, supertwisted birefringence effect CHISSO CORPORATION (JP) 1993-11-02 US disclosed
EP-0432780-B1 LIQUID CRYSTAL COMPOSITION AND LIQUID CRYSTAL DISPLAY USING SAID COMPOSITION CHISSO CORPORATION (JP) 1993-07-21 EP disclosed
US-5102577-A Supertwisted birefringence system CHISSO CORPORATION (JP) 1992-04-07 US disclosed
EP-0432780-A1 Liquid crystal composition and liquid crystal display using said composition CHISSO CORPORATION (JP) 1991-06-19 EP disclosed