SCHEMBL9164002

SCHEMBL9164002

CCCCC(CCC)Oc1ccccc1C(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.58
KMT2A Q03164 3/20 0.58
MEN1 O00255 1/20 0.58
RECQL P46063 1/20 0.58
HSD17B10 Q99714 7/20 0.55
LMNA P02545 2/20 0.55
CYP1A2 P05177 1/20 0.55
CYP2C9 P11712 1/20 0.55
ALDH1A1 P00352 6/20 0.49
HPGD P15428 4/20 0.49
TSHR P16473 3/20 0.46
TDP1 Q9NUW8 2/20 0.46
PTGS2 P35354 2/20 0.46
ESR1 P03372 1/20 0.46
ITGB3 P05106 1/20 0.46
ITGA2B P08514 1/20 0.46
HMGB1 P09429 1/20 0.46
GGT1 P19440 1/20 0.46
PTGS1 P23219 1/20 0.46
BLM P54132 1/20 0.46

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
SCHEMBL15228081 0.93 KDM4E (0.58) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL9250127 0.92 KDM4E (0.58) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL9247771 0.89 KDM4E (0.61) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL2522070 0.87 KDM4E (0.56) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL29609629 0.87 KDM4E (0.56) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL2526219 0.85 KDM4E (0.57) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL368882 0.85 KDM4E (0.57) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL2523396 0.85 KDM4E (0.57) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL2374608 0.84 KDM4E (0.58) KDM4EKMT2AMEN1RECQLHSD17B10
SCHEMBL5453802 0.84 KDM4E (0.58) KDM4EKMT2AMEN1RECQLHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0468882-B1 Liquid crystal compound SHOWA SHELL SEKIYU (JP) 1995-02-22 EP disclosed