SCHEMBL2481311

SCHEMBL2481311

CCC(=Cc1cc(Cl)ccc1[C@@H](C)OC[C@H]1CO1)C(=O)O

nearest known ligand 0.35

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 1/20 0.35
ATM Q13315 1/20 0.32
MGLL Q99685 2/20 0.31
TSHR P16473 2/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
HTR2B P41595 1/20 0.30
KDM4E B2RXH2 1/20 0.30
ALDH1A1 P00352 1/20 0.30
HTT P42858 1/20 0.30
MEN1 O00255 1/20 0.30
KMT2A Q03164 1/20 0.30
P2RX7 Q99572 1/20 0.30
HPGD P15428 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
SCHEMBL2481308 1.00 FFAR1 (0.35) FFAR1ATMMGLLTSHRHTR2A
SCHEMBL2481306 1.00 FFAR1 (0.35) FFAR1ATMMGLLTSHRHTR2A
SCHEMBL2477018 0.88 PPARG (0.32)
SCHEMBL2476679 0.88 SRC (0.33) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2477017 0.88 PPARG (0.32)
SCHEMBL2476683 0.88 SRC (0.33) KDM4EALDH1A1MEN1KMT2A
SCHEMBL2477143 0.85 PSEN1 (0.40) FFAR1TSHR
SCHEMBL2477146 0.85 PSEN1 (0.40) FFAR1TSHR
SCHEMBL2480356 0.84 MGLL (0.38) MGLL
SCHEMBL2480359 0.84 MGLL (0.38) MGLL

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-2374788-A1 INDANYL COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed
EP-2374794-A1 CYCLIC AMINE COMPOUNDS Daiichi Sankyo Company, Limited (JP) 2011-10-12 EP disclosed