SCHEMBL28313039

SCHEMBL28313039

CC(C)(C)C(=O)OC(c1ccc(N2CCCC2)cc1)(C(F)(F)F)C(F)(F)F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAPT P10636 8/20 0.47
▸ HDAC6 Q9UBN7 1/20 0.41
▸ ALDH1A1 P00352 7/20 0.40
▸ RAB9A P51151 6/20 0.40
▸ NPC1 O15118 5/20 0.40
▸ KDM4E B2RXH2 4/20 0.40
▸ KMT2A Q03164 4/20 0.40
▸ SMN1; SMN2 Q16637 4/20 0.40
▸ MAPK1 P28482 3/20 0.40
▸ LMNA P02545 3/20 0.40
▸ TP53 P04637 3/20 0.40
▸ HTT P42858 3/20 0.40
▸ MEN1 O00255 2/20 0.40
▸ HPGD P15428 2/20 0.40
▸ TSHR P16473 2/20 0.40
▸ NPSR1 Q6W5P4 2/20 0.40
▸ GAA P10253 1/20 0.40
▸ CASP1 P29466 1/20 0.40
▸ CASP7 P55210 1/20 0.40
▸ CA12 O43570 1/20 0.40

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
SCHEMBL24218974 0.76 SMN1; SMN2 (0.46) SMN1; SMN2LMNAHTTNPSR1
SCHEMBL19335436 0.76 KCNN4 (0.43) MAPTHDAC6ALDH1A1RAB9ANPC1
SCHEMBL15842090 0.74 MAOB (0.46) ALDH1A1TSHRHSD17B10USP2
SCHEMBL27835393 0.72 L3MBTL1 (0.43) ALDH1A1KDM4EKMT2AMEN1DRD2
SCHEMBL27981818 0.70 CA12 (0.54) MAPTKMT2ASMN1; SMN2LMNATP53
SCHEMBL10473874 0.69 MAPT (0.53) MAPTHDAC6ALDH1A1RAB9ANPC1
SCHEMBL10473931 0.68 MAPT (0.51) MAPTHDAC6ALDH1A1RAB9ANPC1
SCHEMBL10472444 0.68 MAPT (0.51) MAPTHDAC6ALDH1A1RAB9ANPC1
Trifluoroacetic Acid SCHEMBL28476450 0.68 CA12 (0.58) MAPTHDAC6ALDH1A1RAB9ANPC1
SCHEMBL10405261 0.68 MAPT (0.50) MAPTHDAC6ALDH1A1RAB9ANPC1

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
CN-110167930-A ROR gamma modulators 百时美施贵宝公司 2019-08-23 — — CN disclosed
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