SCHEMBL20198138

SCHEMBL20198138

CC(C)(C)C1C=CC(S(=O)(=O)N2CCN(C(=O)OC(C(=O)CCCCc3ccccc3)C(F)(F)F)CC2)=CC1

nearest known ligand 0.34

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ POLB P06746 1/20 0.34
▸ GAA P10253 3/20 0.33
▸ TSHR P16473 3/20 0.33
▸ ALDH1A1 P00352 3/20 0.33
▸ SMN1; SMN2 Q16637 3/20 0.33
▸ PKM P14618 2/20 0.33
▸ F13A1 P00488 2/20 0.33
▸ TGM2 P21980 2/20 0.33
▸ TGM1 P22735 2/20 0.33
▸ LMNA P02545 2/20 0.33
▸ HTT P42858 2/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ FAAH O00519 3/20 0.33
▸ MGLL Q99685 2/20 0.33
▸ FKBP1A P62942 1/20 0.33
▸ L3MBTL1 Q9Y468 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ NPSR1 Q6W5P4 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
SCHEMBL22365059 0.80 MAOA (0.44) POLBGAASMN1; SMN2PKMF13A1
SCHEMBL20198164 0.74 HTR1A (0.45) GAAALDH1A1SMN1; SMN2PKMF13A1
SCHEMBL18634193 0.70 F13A1 (0.46) GAAALDH1A1SMN1; SMN2PKMF13A1
SCHEMBL18634273 0.66 MGLL (0.53) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL16744476 0.65 KMT2A (0.53) POLBGAATSHRALDH1A1SMN1; SMN2
SCHEMBL18634077 0.63 LMNA (0.44) GAATSHRALDH1A1SMN1; SMN2F13A1
SCHEMBL20198124 0.62 KMT2A (0.46) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL18634220 0.61 PKM (0.59) GAAALDH1A1SMN1; SMN2PKMLMNA
SCHEMBL20408695 0.61 GAA (0.56) POLBGAAALDH1A1SMN1; SMN2PKM
SCHEMBL15100865 0.61 MGLL (0.66) GAAALDH1A1PKMMGLL

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-3326627-A1 CARBAMATE COMPOUNDS AND OF MAKING AND USING SAME Abide Therapeutics, Inc. (US) 2018-05-30 — — EP disclosed
Send feedback