SCHEMBL3961754

SCHEMBL3961754

COC(=O)C(Cc1ccccc1)c1cc(Br)ccc1OCc1ccccc1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.51
USP2 O75604 1/20 0.51
CCR5 P51681 2/20 0.49
MEN1 O00255 1/20 0.49
KMT2A Q03164 1/20 0.49
LRRK2 Q5S007 6/20 0.48
ALDH1A1 P00352 1/20 0.48
RAB9A P51151 1/20 0.48
ABCG2 Q9UNQ0 1/20 0.48
SMPD1 P17405 1/20 0.46
HDAC1 Q13547 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
USP28 Q96RU2 1/20 0.46
USP25 Q9UHP3 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HTT P42858 1/20 0.45
LTA4H P09960 1/20 0.45

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
SCHEMBL2167940 0.88 LRRK2 (0.47) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL2167339 0.88 LRRK2 (0.47) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL27563218 0.88 LRRK2 (0.47) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL8321821 0.85 CCR5 (0.54) LMNAUSP2CCR5MEN1KMT2A
SCHEMBL6497698 0.85 LMNA (0.53) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL6330912 0.85 MRGPRX4 (0.48) ALDH1A1SMPD1HDAC1HDAC8HDAC6
SCHEMBL17705192 0.84 CCR5 (0.53) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL17705196 0.80 CCR5 (0.59) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL17705193 0.79 CCR5 (0.52) LMNAUSP2CCR5LRRK2ALDH1A1
SCHEMBL16293408 0.79 CCR5 (0.52) LMNAUSP2CCR5LRRK2ALDH1A1

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
WO-2009037569-A2 AN IMPROVED PROCESS FOR THE PREPARATION OF FESOTERODINE ACTAVIS GROUP PTC EHF (IS) 2009-03-26 WO disclosed