SCHEMBL7475976

SCHEMBL7475976

COC(=O)c1[c]cccc1OC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC6A3 Q01959 2/20 0.35
NOTUM Q6P988 2/20 0.33
ELANE P08246 2/20 0.33
MLYCD O95822 1/20 0.33
TSHR P16473 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA14 Q9ULX7 1/20 0.32
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
PDK1 Q15118 1/20 0.31
PDK2 Q15119 1/20 0.31
PDK3 Q15120 1/20 0.31
PDK4 Q16654 1/20 0.31
SLC6A4 P31645 1/20 0.31
GLA P06280 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL7472201 0.85 HDAC4 (0.40) TSHRCA12CA1CA2CA7
SCHEMBL7476141 0.82 MAPT (0.41) SLC6A3TSHRCA12CA1CA2
SCHEMBL21268159 0.82 KCNK3 (0.40) NOTUMTSHRKMT2AL3MBTL1
SCHEMBL7469630 0.81 KDM4E (0.42) SLC6A3TSHRKMT2AL3MBTL1MAPT
SCHEMBL7594026 0.78 ELANE (0.35) ELANE
SCHEMBL21268163 0.76 NR1I2 (0.46) HTTKMT2AL3MBTL1MAPT
SCHEMBL7474112 0.75 L3MBTL1 (0.37) ELANEMLYCDTSHRKMT2AL3MBTL1
SCHEMBL4285343 0.75 NOTUM (0.43) NOTUMTSHRKMT2AGLAMAPT
SCHEMBL7476286 0.73 ALDH1A1 (0.36) ELANEMLYCDKMT2AMAPT
SCHEMBL27579614 0.73 ALDH1A1 (0.41) SLC6A3TSHRCA12CA1CA2

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP claimed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO claimed
EP-1194417-A1 PHENOXY FLUOROPYRIMIDINES BAYER AG (DE) 2002-04-10 EP disclosed
WO-2000078733-A1 PHENOXY FLUOROPYRIMIDINES BAYER AKTIENGESELLSCHAFT (DE) 2000-12-28 WO disclosed