SCHEMBL9170209

SCHEMBL9170209

CCOC(=O)[C@H](C)Cc1ccc(C(C)(C)C)cc1

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 3/20 0.50
TP53 P04637 2/20 0.50
PPARG P37231 2/20 0.50
TSHR P16473 1/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ACACB O00763 3/20 0.46
EPHX1 P07099 1/20 0.46
CYP2C9 P11712 1/20 0.43
CYP2C19 P33261 1/20 0.43
NR1H4 Q96RI1 2/20 0.43
REN P00797 1/20 0.42
MEN1 O00255 1/20 0.41
ALDH1A1 P00352 1/20 0.41
KMT2A Q03164 1/20 0.41
COPS5 Q92905 1/20 0.41

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
SCHEMBL9163486 1.00 EPHX2 (0.50) EPHX2TP53PPARGTSHRLMNA
SCHEMBL8574971 0.88 EPHX2 (0.51) EPHX2PPARGTSHRLMNACYP2C9
SCHEMBL15659933 0.86 PPARG (0.58) EPHX2PPARGMAPTMEN1ALDH1A1
SCHEMBL6377515 0.85 MMP8 (0.51) EPHX2TP53PPARGTSHRLMNA
SCHEMBL8031433 0.85 TP53 (0.51) EPHX2TP53TSHRLMNAMAPT
SCHEMBL15933208 0.83 PPARG (0.48) EPHX2TP53PPARGLMNAMAPT
SCHEMBL5310295 0.83 LMNA (0.46) EPHX2TP53PPARGTSHRLMNA
SCHEMBL15032871 0.82 MAPK1 (0.42) EPHX2TP53PPARGTSHRLMNA
SCHEMBL2434150 0.81 ESR1 (0.50) EPHX2PPARGKMT2A
SCHEMBL22098310 0.81 PPARG (0.47) EPHX2PPARGTSHR

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-0645458-A1 Chemoenzymatic process for production of S fenpropimorph CAFFARO S.p.A. Società per l'Industria Chimica ed Elettrochimica (IT) 1995-03-29 EP disclosed