SCHEMBL9855071

SCHEMBL9855071

CCCC1CCC(c2ccc(C(=O)Oc3ccc(C(C)C)cc3)cc2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.56
MAPT P10636 3/20 0.54
ALDH1A1 P00352 2/20 0.54
LMNA P02545 1/20 0.54
KMT2A Q03164 4/20 0.48
MEN1 O00255 2/20 0.48
MAPK1 P28482 1/20 0.48
PRSS1 P07477 1/20 0.47
ACR P10323 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.39
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.38
XBP1 P17861 1/20 0.38
PABPC1 P11940 1/20 0.38
EIF4H Q15056 1/20 0.38
CTDSP1 Q9GZU7 1/20 0.38
IDO1 P14902 1/20 0.37
ACACB O00763 2/20 0.37
RXRA P19793 1/20 0.36
RXRB P28702 1/20 0.36

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
SCHEMBL10938649 0.92 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL10898816 0.92 CYP2C9 (0.66) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11405903 0.90 CYP2C9 (0.53) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9467780 0.88 CYP2C9 (0.59) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL9467768 0.88 CYP2C9 (0.59) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11411864 0.87 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11406369 0.87 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL11404438 0.87 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL1532033 0.87 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A
SCHEMBL1532035 0.87 CYP2C9 (0.60) CYP2C9MAPTALDH1A1LMNAKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3011039-A None JP disclosed
US-7351451-B2 Anthraquinone compound, liquid crystal composition, cell and display device employing the same FUJIFILM CORPORATION (JP) 2008-04-01 US disclosed
JP-H0311039-A NOVEL AROMATIC ARBOXYLIC ACID ESTER COMPOUND ADEKA ARGUS CHEM CO LTD 1991-01-18 JP disclosed