SCHEMBL20888367

SCHEMBL20888367

CCC(C)CNC(=O)C1C(C(=O)O)CC1C(=O)O

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.46
TAAR1 Q96RJ0 1/20 0.38
POLB P06746 1/20 0.33
GRM2 Q14416 2/20 0.32
GRM3 Q14832 2/20 0.32
CTSD P07339 2/20 0.32
GPR88 Q9GZN0 1/20 0.32
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
FAAH O00519 1/20 0.31
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
EPHX2 P34913 2/20 0.31
FPR3 P25089 1/20 0.31
FPR2 P25090 1/20 0.31
MME P08473 1/20 0.31
ACE P12821 1/20 0.31
CPA1 P15085 1/20 0.31
ACE2 Q9BYF1 1/20 0.31

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
SCHEMBL23236466 0.93 ALDH1A1 (0.46) ALDH1A1TAAR1POLBGRM2GRM3
SCHEMBL20888364 0.89 ALDH1A1 (0.42) ALDH1A1TAAR1
SCHEMBL20804907 0.84 TAAR1 (0.38) ALDH1A1TAAR1POLB
SCHEMBL22726263 0.83 ALDH1A1 (0.41) ALDH1A1TAAR1POLB
SCHEMBL23638026 0.77 ALDH1A1 (0.34) ALDH1A1TAAR1CTSDGPR88FAAH
SCHEMBL5345377 0.71 FAAH (0.33) ALDH1A1CTSDFAAHCNR1CNR2
SCHEMBL2332543 0.71
SCHEMBL22311455 0.71
SCHEMBL18287148 0.69 TRPM8 (0.58) ALDH1A1
SCHEMBL2820655 0.68 EPHX1 (0.45) CYP2D6CYP2C19FAAHCNR1CNR2

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
US-20190106629-A1 LIQUID CRYSTAL DISPLAY DEVICE SHARP KABUSHIKI KAISHA (JP) 2019-04-11 US disclosed