SCHEMBL7965517

SCHEMBL7965517

CC12CC3CC(C1)C(C(=O)O)C(C3)C2

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 9/20 0.40
GRM3 Q14832 6/20 0.40
GRM5 P41594 4/20 0.40
GRM6 O15303 4/20 0.40
GRM1 Q13255 3/20 0.40
GRM4 Q14833 3/20 0.40
APLNR P35414 1/20 0.37
EPHX2 P34913 3/20 0.34
TSHR P16473 1/20 0.33
GRM8 O00222 1/20 0.32
THRB P10828 1/20 0.31
CYP2C9 P11712 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
SCHEMBL22365674 0.80 THRB (0.31) EPHX2THRBCYP2C9
SCHEMBL20129585 0.77 GRM5 (0.41) GRM2GRM3GRM5GRM6GRM1
SCHEMBL26217911 0.75 GRM2 (0.44) GRM2GRM3GRM5GRM6GRM1
SCHEMBL7965513 0.75 GRM2 (0.40) GRM2GRM3GRM5GRM6GRM1
Acetic Acid SCHEMBL9166776 0.75 THRB (0.41) APLNREPHX2TSHRTHRBCYP2C9
Acetic Acid SCHEMBL9168733 0.75 THRB (0.41) APLNREPHX2TSHRTHRBCYP2C9
SCHEMBL26218007 0.75 HSD11B1 (0.57) GRM2GRM5GRM1EPHX2TSHR
SCHEMBL12765568 0.73
SCHEMBL24064288 0.73 CYP2C9 (0.43) EPHX2CYP2C9
SCHEMBL5736238 0.72 HSD11B1 (0.41) GRM2GRM3GRM5GRM6GRM1

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-6280900-B1 RADIATION SENSITIVE COMPOSITION WITH ALKALINE DEVELOPER SOLUBLE IN POLYMER COATED ON SUBSTRATE JSR CORPORATION (JP) 2001-08-28 US disclosed