SCHEMBL27713229

SCHEMBL27713229

CC(C)(C)NC(=O)OC1CCN(C(=O)c2ccc(C(F)(F)F)cc2)CC1

nearest known ligand 0.55

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 1/20 0.55
▸ TDP1 Q9NUW8 1/20 0.55
▸ HSD11B1 P28845 2/20 0.55
▸ TEAD1 P28347 1/20 0.55
▸ KMT2A Q03164 4/20 0.52
▸ MEN1 O00255 3/20 0.52
▸ HPGD P15428 1/20 0.52
▸ TSHR P16473 1/20 0.52
▸ MGLL Q99685 1/20 0.51
▸ POLB P06746 1/20 0.49
▸ EPHX2 P34913 3/20 0.48
▸ ADRB2 P07550 1/20 0.47
▸ CNR1 P21554 1/20 0.47
▸ CNR2 P34972 1/20 0.47
▸ LMNA P02545 1/20 0.47
▸ SLC9A1 P19634 1/20 0.45
▸ MAPK7 Q13164 1/20 0.45
▸ CYP3A4 P08684 1/20 0.44

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
SCHEMBL28753553 0.85 MGLL (0.52) HSD11B1KMT2AMEN1MGLLPOLB
SCHEMBL27733598 0.85 LMNA (0.57) HSD11B1KMT2AMEN1POLBLMNA
SCHEMBL22031741 0.82 KMT2A (0.51) GAAHSD11B1KMT2AMEN1TSHR
SCHEMBL28238844 0.80 KMT2A (0.46) KMT2AMEN1HPGDPOLBLMNA
SCHEMBL27713245 0.79 RAB9A (0.53) GAAKMT2AHPGDPOLBEPHX2
SCHEMBL30964009 0.79 GAA (0.73) GAATDP1HSD11B1TEAD1KMT2A
SCHEMBL22499928 0.79 NOTUM (0.53) —
SCHEMBL28597269 0.79 NOTUM (0.53) —
SCHEMBL27713265 0.77 SFRP1 (0.46) KMT2AHPGDPOLBLMNA
SCHEMBL23775473 0.76 GAA (0.74) GAATDP1HSD11B1TEAD1KMT2A

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-101208299-A Diarylsulfone sulfonamides and use therof WYETH CORP (US) 2008-06-25 — — CN disclosed
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