SCHEMBL7046294

SCHEMBL7046294

CCC[C@H]1CC[C@H](c2ccc(C(=O)CC(=O)O)cc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.68
LMNA P02545 1/20 0.68
MAPT P10636 1/20 0.68
CYP2C9 P11712 1/20 0.68
MEN1 O00255 1/20 0.57
MAPK1 P28482 1/20 0.57
KMT2A Q03164 1/20 0.57
HAO1 Q9UJM8 1/20 0.50
DGAT1 O75907 10/20 0.44
HDAC8 Q9BY41 2/20 0.42
HDAC6 Q9UBN7 2/20 0.42
ESR2 Q92731 2/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC3 O15379 1/20 0.41
HDAC11 Q96DB2 1/20 0.41

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
SCHEMBL7046295 1.00 ALDH1A1 (0.68) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL11139301 0.89 ALDH1A1 (0.68) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL11138282 0.87 ALDH1A1 (0.67) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL13267651 0.87 CYP2C9 (0.73) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL10572108 0.87 CYP2C9 (0.73) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL10572113 0.87 CYP2C9 (0.73) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL11133127 0.86 ALDH1A1 (0.65) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL3267992 0.85 CYP2C9 (0.75) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL2770921 0.85 CYP2C9 (0.75) ALDH1A1LMNAMAPTCYP2C9MEN1
SCHEMBL11137683 0.85 ALDH1A1 (0.64) ALDH1A1LMNAMAPTCYP2C9MEN1

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-0982386-B1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition CHISSO CORP (JP) 2003-04-16 EP disclosed
EP-0982386-A1 Liquid crystal compound having negative dielectric anisotropy, liquid crystal composition containing said liquid crystal compound and liquid crystal display device using said composition Chisso Corporation (JP) 2000-03-01 EP disclosed