SCHEMBL17781920

SCHEMBL17781920

CC(C)(C)OC(=O)NNC1CCN(C(=O)O)CC1(F)F

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ APLNR P35414 1/20 0.37
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ GAA P10253 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ EPHX1 P07099 1/20 0.34
▸ HSD17B10 Q99714 1/20 0.34
▸ CTSK P43235 2/20 0.33
▸ HSD11B1 P28845 2/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CA1 P00915 1/20 0.33
▸ CA2 P00918 1/20 0.33
▸ HPGD P15428 1/20 0.33
▸ BTK Q06187 1/20 0.33
▸ STS P08842 1/20 0.32
▸ GPR119 Q8TDV5 1/20 0.32

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
SCHEMBL21411217 0.91 EPHX1 (0.41) KMT2AALDH1A1EPHX1HSD17B10HPGD
SCHEMBL15416696 0.91 EPHX1 (0.41) KMT2AALDH1A1EPHX1HSD17B10HPGD
SCHEMBL21629481 0.77 LMNA (0.37) —
SCHEMBL12276428 0.76 EPHX1 (0.46) MEN1KMT2AALDH1A1TSHRGAA
SCHEMBL26963280 0.75 EPHX2 (0.33) —
SCHEMBL27125182 0.75 EPHX2 (0.33) —
SCHEMBL6078871 0.75 HSD11B1 (0.39) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL6080385 0.75 HSD11B1 (0.39) MEN1KMT2AALDH1A1TSHREPHX1
SCHEMBL20583811 0.74 KDM4E (0.55) MEN1KMT2ASTSGPR119
SCHEMBL29083228 0.74 EPHX1 (0.45) ALDH1A1MAPK1EPHX1HPGDSTS

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-2872501-B1 PYRIMIDINE PYRAZOLYL DERIVATIVES ARES TRADING SA (CH) 2016-06-01 — — EP disclosed
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