SCHEMBL7049036

SCHEMBL7049036

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

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.62
MAPT P10636 3/20 0.62
LMNA P02545 1/20 0.62
CYP2C9 P11712 1/20 0.61
KMT2A Q03164 3/20 0.52
MEN1 O00255 2/20 0.52
MAPK1 P28482 1/20 0.52
HAO1 Q9UJM8 1/20 0.43
KDM4E B2RXH2 1/20 0.40
HPGD P15428 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
ESR2 Q92731 2/20 0.39
HDAC8 Q9BY41 2/20 0.38
HDAC6 Q9UBN7 2/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC3 O15379 1/20 0.38
HDAC11 Q96DB2 1/20 0.38
TSHR P16473 1/20 0.37
DGAT1 O75907 1/20 0.37
PTGER4 P35408 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
SCHEMBL7049040 1.00 ALDH1A1 (0.62) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL4485834 0.88 ALDH1A1 (0.47) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL4937649 0.88 ALDH1A1 (0.47) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL7046294 0.84 ALDH1A1 (0.68) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL4031356 0.84 HAO1 (0.61) ALDH1A1MAPTLMNAKMT2AMEN1
SCHEMBL7046295 0.84 ALDH1A1 (0.68) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL11139301 0.84 ALDH1A1 (0.68) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL11138282 0.83 ALDH1A1 (0.67) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL10572113 0.82 CYP2C9 (0.73) ALDH1A1MAPTLMNACYP2C9KMT2A
SCHEMBL13267651 0.82 CYP2C9 (0.73) ALDH1A1MAPTLMNACYP2C9KMT2A

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