SCHEMBL9724879

SCHEMBL9724879

CCCCCCC(C)C(=O)c1ccc(-c2ccccc2)cc1.CCCCCCCCCC(=O)Oc1ccccc1C(=O)O

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.61
MEN1 O00255 1/20 0.61
RECQL P46063 1/20 0.61
KMT2A Q03164 1/20 0.61
ALDH1A1 P00352 3/20 0.46
HSD17B10 Q99714 3/20 0.43
PTPN11 Q06124 3/20 0.42
POLB P06746 1/20 0.41
PPARG P37231 2/20 0.41
POLM Q9NP87 1/20 0.41
POLK Q9UBT6 1/20 0.41
POLL Q9UGP5 1/20 0.41
POLH Q9Y253 1/20 0.41
HPGD P15428 2/20 0.40
PPARA Q07869 1/20 0.39
RARB P10826 3/20 0.39
ESR1 P03372 1/20 0.39
ITGB3 P05106 1/20 0.39
ITGA2B P08514 1/20 0.39
HMGB1 P09429 1/20 0.39

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
SCHEMBL9717217 0.86 RARB (0.50) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL9717297 0.86 RARB (0.50) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL9717226 0.86 RARB (0.50) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL9717294 0.86 RARB (0.50) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL9440441 0.84 PTPN11 (0.43) KDM4EMEN1RECQLKMT2APTPN11
SCHEMBL1858148 0.83 KDM4E (0.88) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL727072 0.83 KDM4E (0.88) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL44212 0.83 KDM4E (0.88) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL16800398 0.83 KDM4E (0.88) KDM4EMEN1RECQLKMT2AALDH1A1
SCHEMBL725982 0.83 KDM4E (0.88) KDM4EMEN1RECQLKMT2AALDH1A1

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
US-5137653-A Alkanoyl ester compounds and their intermediates and method of producing the same NIPPON MINING CO., LTD. (JP) 1992-08-11 US disclosed