SCHEMBL16769995

SCHEMBL16769995

CCCCO[C@H]1C[C@@H](Cl)C1

nearest known ligand 0.37

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PPP5C P53041 1/20 0.37
EPHX2 P34913 1/20 0.34
GBA1 P04062 3/20 0.33
ALDH1A1 P00352 2/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
ADRB2 P07550 1/20 0.33
ADRB1 P08588 1/20 0.33
ADRB3 P13945 1/20 0.33
ATM Q13315 1/20 0.31
TP53 P04637 1/20 0.31
TSHR P16473 2/20 0.31
TDP1 Q9NUW8 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
CYP3A4 P08684 1/20 0.30

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
SCHEMBL19659744 0.80 EPHX2 (0.39) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL27098020 0.79 ADRB2 (0.35) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL16449108 0.79 ADRB2 (0.35) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL25578790 0.79 EPHX2 (0.38) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL10692609 0.78 GBA1 (0.46) EPHX2GBA1ALDH1A1TSHRTDP1
SCHEMBL15948615 0.77 GBA1 (0.42) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL17342220 0.77 GBA1 (0.42) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL11943576 0.77 GBA1 (0.42) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2
SCHEMBL7702633 0.77 ADRB2 (0.39) PPP5CEPHX2GBA1SMN1; SMN2ADRB2
SCHEMBL16769690 0.77 GBA1 (0.42) PPP5CEPHX2GBA1ALDH1A1SMN1; SMN2

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-2015077866-A1 PROTEIN KINASE INHIBITORS PHARMASCIENCE INC. (CA) 2015-06-04 WO disclosed