SCHEMBL12640900

SCHEMBL12640900

O=C(NC1CCCC(F)(F)C1NC(=O)OCc1ccccc1)OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.51
ALDH1A1 P00352 2/20 0.50
KDM1A O60341 1/20 0.50
MAOB P27338 1/20 0.50
GAA P10253 1/20 0.50
CPB1 P15086 2/20 0.49
CASP3 P42574 3/20 0.48
TSHR P16473 1/20 0.48
CTSB P07858 3/20 0.45
CTSK P43235 3/20 0.45
CTSS P25774 2/20 0.45
CTSL P07711 2/20 0.45
MEN1 O00255 1/20 0.45
KMT2A Q03164 1/20 0.45
DPP4 P27487 1/20 0.45
KCNH2 Q12809 1/20 0.45
DPP7 Q9UHL4 1/20 0.45

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
SCHEMBL20178107 1.00 EPHX1 (0.51) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL1989005 1.00 EPHX1 (0.51) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL12564554 1.00 EPHX1 (0.51) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL1989006 1.00 EPHX1 (0.51) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL28377094 0.92 CPB1 (0.45) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL28380522 0.92 CPB1 (0.45) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL27301394 0.88 ALDH1A1 (0.50) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL28380424 0.87 ALDH1A1 (0.52) EPHX1ALDH1A1KDM1AMAOBGAA
Hydrochloric Acid SCHEMBL28376398 0.86 ALDH1A1 (0.51) EPHX1ALDH1A1KDM1AMAOBGAA
SCHEMBL6612597 0.81 EPHX1 (0.63) EPHX1ALDH1A1GAACPB1CASP3

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
EP-3489236-A1 PROCESS FOR THE PREPARATION OF FUSED HETEROAROMATIC PYRROLIDINONES Takeda Pharmaceutical Company Limited (JP) 2019-05-29 EP disclosed
WO-2011079051-A1 FUSED HETEROAROMATIC PYRROLIDINONES AS SYK INHIBITORS TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2011-06-30 WO disclosed