SCHEMBL9487256

SCHEMBL9487256

CCC(C)C(=O)C1(OC)C=CC(c2ccccc2)=CC1

nearest known ligand 0.33

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.33
THRB P10828 1/20 0.33
CYP2C9 P11712 1/20 0.33
CYP2C19 P33261 1/20 0.33
HSD17B10 Q99714 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
ADORA2A P29274 1/20 0.32
ADORA1 P30542 1/20 0.32
MAPT P10636 1/20 0.32
ATM Q13315 1/20 0.32
MME P08473 4/20 0.31
ACE P12821 4/20 0.31
CPA1 P15085 4/20 0.31
ACE2 Q9BYF1 4/20 0.31
POLB P06746 1/20 0.30
PSMB8 P28062 1/20 0.30

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
SCHEMBL4234398 0.82 SLC6A2 (0.33) CYP2C19ADORA3POLB
SCHEMBL6903846 0.80 SMN1; SMN2 (0.32) CYP2C19MAPT
SCHEMBL5984481 0.79 MEN1 (0.37) ALDH1A1CYP2C9CYP2C19HSD17B10MAPT
SCHEMBL30884655 0.77 ALDH1A1 (0.31) ALDH1A1MAPT
SCHEMBL9405736 0.76 GCGR (0.32)
SCHEMBL9545948 0.74 SLC6A2 (0.33) CYP2C19HSD17B10ATM
SCHEMBL404532 0.73 ANPEP (0.34)
SCHEMBL29154634 0.71 GAA (0.33) MAPT
SCHEMBL10337981 0.71 GAA (0.33) ALDH1A1MAPT
SCHEMBL9489503 0.71

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-0228703-B1 FERROELECTRIC LIQUID CRYSTAL POLYMER IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-03-10 EP disclosed
EP-0228703-A2 Ferroelectric liquid crystal polymer IDEMITSU KOSAN COMPANY LIMITED (JP) 1987-07-15 EP disclosed