SCHEMBL8829682

SCHEMBL8829682

O=C([C@H](O)C(F)(F)F)N1CCCC1

nearest known ligand 0.43

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ HPGD P15428 3/20 0.43
▸ MEN1 O00255 1/20 0.43
▸ TSHR P16473 1/20 0.43
▸ KMT2A Q03164 1/20 0.43
▸ MLYCD O95822 3/20 0.41
▸ ALDH1A1 P00352 3/20 0.37
▸ MAPK1 P28482 1/20 0.35
▸ DPP7 Q9UHL4 4/20 0.34
▸ DPP4 P27487 3/20 0.34
▸ MMP1 P03956 1/20 0.34
▸ MMP2 P08253 1/20 0.34
▸ MMP8 P22894 1/20 0.34
▸ ATM Q13315 1/20 0.33
▸ GAA P10253 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
SCHEMBL8829683 1.00 HPGD (0.43) HPGDMEN1TSHRKMT2AMLYCD
SCHEMBL19541097 0.98 HPGD (0.46) HPGDMEN1TSHRKMT2AMLYCD
SCHEMBL19540884 0.98 HPGD (0.46) HPGDMEN1TSHRKMT2AMLYCD
SCHEMBL18389809 0.81 CYP1A2 (0.45) HPGDMEN1KMT2A
SCHEMBL18389801 0.81 CA2 (0.42) HPGDMAPK1
SCHEMBL3560556 0.81 MAPK1 (0.33) MAPK1
SCHEMBL12800838 0.79 MEN1 (0.35) MEN1KMT2AALDH1A1DPP7DPP4
SCHEMBL15431419 0.78 ALDH1A1 (0.55) HPGDMEN1KMT2AALDH1A1DPP7
SCHEMBL18713205 0.78 EPHX2 (0.45) —
SCHEMBL20970531 0.77 CHRM1 (0.43) MEN1KMT2AALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-9059203-A — — None — — JP disclosed
JP-H0959203-A (S)-1-HYDROXY-2,2,2-TRIFLUOROETHYL-TERMINATED ETHOXYALKYL KETONE AND ITS PRODUCTION TOAGOSEI CO LTD 1997-03-04 — — JP disclosed
JP-H00959203-A — — 0001-01-01 — — JP disclosed
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