SCHEMBL7775690

SCHEMBL7775690

CC(C)(C)C(=O)[C@H]1O[C@@H]1c1ccc(F)cc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 5/20 0.57
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
TP53 P04637 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39
HPGD P15428 1/20 0.39
CYP2C19 P33261 1/20 0.39
TSHR P16473 1/20 0.38
ALDH1A1 P00352 2/20 0.36
HBB P68871 1/20 0.36
HSD17B10 Q99714 1/20 0.36
LMNA P02545 1/20 0.34
ALOX12 P18054 1/20 0.34
MAOB P27338 1/20 0.34
PTGS2 P35354 1/20 0.33
NPC1 O15118 1/20 0.33
MAPT P10636 1/20 0.33
XBP1 P17861 1/20 0.33
MAPK1 P28482 1/20 0.33

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
SCHEMBL7775691 1.00 EPHX1 (0.57) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL7764706 0.84 EPHX1 (0.56) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL7764709 0.84 EPHX1 (0.56) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL11256359 0.83 FTO (0.40) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL7775657 0.82 RIPK1 (0.46) EPHX1CYP2C19TSHRKIF11CES2
SCHEMBL7775658 0.82 RIPK1 (0.46) EPHX1CYP2C19TSHRKIF11CES2
SCHEMBL7776125 0.79 EPHX1 (0.53) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL8550629 0.78 EPHX1 (0.69) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL9255795 0.78 EPHX1 (0.69) EPHX1MEN1KMT2ATP53CYP1A2
SCHEMBL7771291 0.78 EPHX1 (0.69) EPHX1MEN1KMT2ATP53CYP1A2

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-1127885-A2 Optically active epoxypropionate derivatives, intermediates, and processes for their production Tosoh Corporation (JP) 2001-08-29 EP disclosed