SCHEMBL10050640

SCHEMBL10050640

CCC(C)(C)C(=O)OCCOCCCCOc1ccc(C(=O)c2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PPARA Q07869 2/20 0.58
PPARG P37231 2/20 0.52
GAA P10253 1/20 0.50
KDM4E B2RXH2 5/20 0.49
ALDH1A1 P00352 4/20 0.49
LMNA P02545 3/20 0.49
L3MBTL1 Q9Y468 3/20 0.49
MAPK1 P28482 1/20 0.49
MAPT P10636 2/20 0.47
RARB P10826 1/20 0.47
HRH4 Q9H3N8 1/20 0.46
ELANE P08246 1/20 0.46
POLB P06746 1/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
LSS P48449 2/20 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
SCHEMBL12455551 0.99 PPARA (0.57) PPARAPPARGGAAKDM4EALDH1A1
SCHEMBL10050673 0.91 PPARA (0.61) PPARAPPARGGAAKDM4EALDH1A1
SCHEMBL18219828 0.85 KDM4E (0.48) PPARAKDM4EALDH1A1LMNAMAPT
SCHEMBL12900759 0.85 KDM4E (0.48) PPARAKDM4EALDH1A1LMNAMAPT
SCHEMBL11306567 0.85 KDM4E (0.48) PPARAKDM4EALDH1A1LMNAMAPT
SCHEMBL12900758 0.85 KDM4E (0.48) PPARAKDM4EALDH1A1LMNAMAPT
SCHEMBL18253143 0.83 PPARA (0.56) PPARAPPARGGAAKDM4EALDH1A1
SCHEMBL10050669 0.81 PPARA (0.48) PPARAPPARGGAAALDH1A1LMNA
SCHEMBL15946555 0.81 HTT (0.65) MAPK1RARBPOLB
SCHEMBL27251938 0.81 KDM4E (0.56) GAAKDM4EALDH1A1LMNAMAPT

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
US-8097688-B2 Ink composition and inkjet recording method FUJIFILM CORPORATION (JP) 2012-01-17 US disclosed
US-20100227076-A1 INK COMPOSITION AND INKJET RECORDING METHOD FUJIFILM CORPORATION (JP) 2010-09-09 US disclosed