SCHEMBL7733811

SCHEMBL7733811

OCCNc1ccccc1OC(F)(F)F

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GBA1 P04062 4/20 0.54
▸ GAA P10253 1/20 0.47
▸ KDM4E B2RXH2 2/20 0.45
▸ GLA P06280 1/20 0.45
▸ EPHX2 P34913 2/20 0.41
▸ DDB1 Q16531 1/20 0.39
▸ CRBN Q96SW2 1/20 0.39
▸ USP2 O75604 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ RAD52 P43351 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ C1R P00736 1/20 0.38
▸ IDH2 P48735 1/20 0.38
▸ HDAC3 O15379 1/20 0.37
▸ HDAC1 Q13547 1/20 0.37
▸ HDAC2 Q92769 1/20 0.37
▸ HDAC6 Q9UBN7 1/20 0.37
▸ RXRA P19793 1/20 0.37
▸ RXRB P28702 1/20 0.37

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
SCHEMBL6230288 0.83 GAA (0.43) GBA1GAAEPHX2DDB1CRBN
SCHEMBL7736582 0.83 GAA (0.43) GBA1GAAEPHX2DDB1CRBN
SCHEMBL18622663 0.83 CA12 (0.46) GBA1GAAEPHX2DDB1CRBN
SCHEMBL7733793 0.80 KDM4E (0.43) GBA1GAAKDM4EGLATSHR
SCHEMBL2093975 0.79 CHRM2 (0.49) GBA1GAAEPHX2DDB1CRBN
SCHEMBL18646045 0.79 GAA (0.40) GBA1GAAEPHX2DDB1CRBN
SCHEMBL6235230 0.79 GAA (0.45) GBA1GAAEPHX2DDB1CRBN
SCHEMBL14122137 0.78 CHRM2 (0.48) GBA1GAAEPHX2DDB1CRBN
SCHEMBL27764586 0.77 KDM4E (0.46) GBA1GAAKDM4EGLAUSP2
SCHEMBL3073595 0.77 CHRM2 (0.62) GBA1GAAKDM4EGLAUSP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3466920-A1 METHOD FOR OBTAINING -AMINO ALCOHOLS Universitat de València (ES) 2019-04-10 — — EP disclosed
US-6399614-B1 TREATING NEUROMUSCULAR DYSFUNCTION OF LOWER URINARY TRACT VIA PERIPHERAL OR CENTRAL NERVOUS SYSTEM; SEROTONIN RECEPTOR ANTAGONIST RECORDATI S.A. CHEMICAL AND PHARMACEUTICAL COMPANY (CH) 2002-06-04 — — US disclosed
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