SCHEMBL6273459

SCHEMBL6273459

COc1ccc(-c2ccccc2)cc1C(Cl)C(C)(C)C

nearest known ligand 0.45

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CTSA P10619 1/20 0.43
DHFR P00374 2/20 0.42
HTR2C P28335 1/20 0.42
KDM4E B2RXH2 3/20 0.41
MAPT P10636 3/20 0.41
HPGD P15428 3/20 0.41
ALDH1A1 P00352 2/20 0.41
KMT2A Q03164 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
LMNA P02545 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACLY P53396 4/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL21376221 0.80 DHFR (0.48) CTSADHFRHTR2CKDM4EMAPT
SCHEMBL6266844 0.77 CYP2D6 (0.46) CTSADHFRKDM4EMAPTHPGD
SCHEMBL4533772 0.73 L3MBTL1 (0.62) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL21376419 0.73 RARA (0.57) HTR2CKDM4EMAPTHPGDALDH1A1
SCHEMBL19832466 0.72 ABL1 (0.46) CTSAKDM4EMAPTHPGDALDH1A1
SCHEMBL29375895 0.72 ADORA2A (0.55) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL403698 0.72 ADORA2A (0.55) KDM4EMAPTHPGDALDH1A1KMT2A
SCHEMBL8809704 0.71 CTSA (0.42) CTSADHFRHTR2CKDM4EMAPT
SCHEMBL6273482 0.71 CTSA (0.44) CTSADHFRHTR2CKDM4EMAPT
SCHEMBL11839394 0.70 DHFR (0.44) CTSADHFRKDM4EKMT2AMEN1

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-2005100301-A1 2-ARYLOXYETHYL GLYCINE DERIVATIVES AND THEIR USE AS GLYCINE TRANSPORT INHIBITORS ELI LILLY AND COMPANY (US) 2005-10-27 WO disclosed