SCHEMBL11602811

SCHEMBL11602811

NC1(C(=O)O)CCCCC1C(=O)OCC(Cl)Cl

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ARG1 P05089 4/20 0.35
ARG2 P78540 2/20 0.35
GRM2 Q14416 5/20 0.32
GRM3 Q14832 3/20 0.32
GRM8 O00222 2/20 0.32
GRM6 O15303 2/20 0.32
GRM5 P41594 2/20 0.31
GRM1 Q13255 2/20 0.31
GRM4 Q14833 2/20 0.30
CYP1A2 P05177 1/20 0.30
ALOX15 P16050 1/20 0.30
CYP2C19 P33261 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
LMNA P02545 1/20 0.30
MTOR P42345 1/20 0.30
PLCB1 Q9NQ66 1/20 0.30
TSHR P16473 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
SCHEMBL9537184 0.75 MEN1 (0.40) ARG1ARG2TSHR
SCHEMBL11600438 0.74 ARG1 (0.34) ARG1ARG2GRM2GRM3GRM8
SCHEMBL26332225 0.73 SLC6A4 (0.47) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4835740 0.73 SLC6A4 (0.47) ARG1ARG2GRM2GRM3GRM8
SCHEMBL4835859 0.73 SLC6A4 (0.47) ARG1ARG2GRM2GRM3GRM8
SCHEMBL6380145 0.72 FKBP1A (0.47) CYP2C19TSHR
SCHEMBL2524446 0.72 ARG1 (0.34) ARG1ARG2GRM2GRM3GRM8
SCHEMBL9729224 0.71 ARG1 (0.33) ARG1ARG2GRM2GRM3GRM8
SCHEMBL3704762 0.70 ARG1 (0.39) ARG1ARG2GRM2GRM3GRM8
SCHEMBL18828224 0.69 ALDH1A1 (0.38) CYP1A2TDP1LMNATSHR

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-4111933-A PROTECTION OF FUNCTIONAL GROUPS DURING REACTION AND THEIR SUBSEQUENT RESTORATION BAYER AKTIENGESELLSCHAFT (DE) 1978-09-05 US disclosed