SCHEMBL9344765

SCHEMBL9344765

CCCC[C@H]1CC[C@H](C(C)c2ccccc2)CC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
DPP4 P27487 1/20 0.41
CYP1A2 P05177 3/20 0.40
HRH3 Q9Y5N1 1/20 0.40
GAA P10253 2/20 0.37
CYP2C9 P11712 2/20 0.37
TSHR P16473 2/20 0.37
CYP2C19 P33261 2/20 0.37
MEN1 O00255 1/20 0.37
NPC1 O15118 1/20 0.37
CYP2D6 P10635 1/20 0.37
HPGD P15428 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
KMT2A Q03164 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CYP3A4 P08684 1/20 0.36
GRM2 Q14416 1/20 0.35
CHRM2 P08172 1/20 0.35

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
SCHEMBL8483120 0.90 GAA (0.39) MAPTDPP4HRH3GAACYP2C9
SCHEMBL1031530 0.90 GAA (0.39) MAPTDPP4HRH3GAACYP2C9
SCHEMBL10383557 0.88 FFAR1 (0.41) MAPTCYP1A2HRH3GAACYP2C9
SCHEMBL7913831 0.86 GAA (0.36) DPP4HRH3GAACYP2C9HPGD
SCHEMBL16191465 0.83 GAA (0.41) MAPTGAAL3MBTL1IDO1
SCHEMBL9346796 0.83 GAA (0.41) MAPTGAAL3MBTL1IDO1
SCHEMBL10385269 0.83 FFAR1 (0.44) CYP1A2HRH3CYP2C9TSHRRAB9A
SCHEMBL7769740 0.82 GAA (0.38) GAAL3MBTL1IDO1
SCHEMBL8451087 0.82 MAOB (0.44)
SCHEMBL10479797 0.82 CYP1A2 (0.36) MAPTCYP1A2HRH3GAACYP2C9

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 2 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-5102577-A Supertwisted birefringence system CHISSO CORPORATION (JP) 1992-04-07 US disclosed