SCHEMBL4356489

SCHEMBL4356489

CCN(CC)C(=O)CN1CCC(C2OCc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc3O2)CC1

nearest known ligand 0.43

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.43
CCR5 P51681 15/20 0.39
KMT2A Q03164 1/20 0.36
USP30 Q70CQ3 1/20 0.36
CYP2D6 P10635 1/20 0.35
KCNH2 Q12809 1/20 0.35
TSPO P30536 1/20 0.35

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
SCHEMBL4347874 0.83 KDM1A (0.41) KMT2AUSP30
SCHEMBL4347925 0.81 USP30 (0.40) USP30KCNH2
SCHEMBL4529650 0.79 KMT2A (0.39) ALDH1A1KMT2AUSP30
SCHEMBL4360375 0.79 KDM1A (0.39) ALDH1A1KMT2AUSP30CYP2D6
SCHEMBL4353455 0.78 KDM1A (0.43) ALDH1A1KMT2AUSP30
SCHEMBL4531768 0.78 KDM1A (0.38) KMT2AUSP30
SCHEMBL4349922 0.78 PTPN2 (0.43) ALDH1A1
SCHEMBL4537918 0.78 PTPN2 (0.43) ALDH1A1
SCHEMBL4356473 0.78 PTPN2 (0.43) ALDH1A1
SCHEMBL4353588 0.77 PIK3CA (0.43) USP30

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
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO claimed
WO-2009150144-A1 NEW GPR119MODULATORS INOVACIA AB (SE) 2009-12-17 WO disclosed