SCHEMBL6439147

SCHEMBL6439147

COc1ccc(O)c2c1CCCC2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRA1A P35348 3/20 0.49
HSD11B1 P28845 2/20 0.44
HSD17B2 P37059 2/20 0.44
CETP P11597 1/20 0.43
MAOB P27338 2/20 0.42
THRA P10827 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
GLA P06280 1/20 0.41
GAA P10253 1/20 0.41
HPGD P15428 1/20 0.41
HIF1A Q16665 1/20 0.41
EPAS1 Q99814 1/20 0.41
MEN1 O00255 1/20 0.41
RAB9A P51151 1/20 0.41
KMT2A Q03164 1/20 0.41
BCL2L1 Q07817 1/20 0.41
BAD Q92934 1/20 0.41
CA1 P00915 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
SCHEMBL835276 0.96 ADRA1A (0.49) ADRA1AHSD11B1HSD17B2CETPMAOB
SCHEMBL10969055 0.87 ADRA1A (0.59) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL833885 0.82 ADRA1A (0.59) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL3283307 0.79 BCL2L1 (0.56) HSD11B1HSD17B2MAOBTHRATHRB
SCHEMBL6164935 0.76 ADRA1A (0.46) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL6169404 0.75 KDM4E (0.53) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL30465797 0.75 KDM4E (0.53) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL7327510 0.75 ADRA1A (0.49) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL25732435 0.75 ADRA1A (0.49) ADRA1AHSD11B1HSD17B2KDM4EALDH1A1
SCHEMBL16372577 0.75 ADRA1A (0.53) ADRA1AHSD11B1HSD17B2THRBKDM4E

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1033364-B1 Cyano containing oxamic acids and derivatives as thyroid receptor ligands PFIZER PROD INC (US) 2005-02-23 EP disclosed
US-6194454-B1 ANTILIPEMIC AGENTS; ANTIDIABETIC AGENTS; DIETETICS; RHEUMATIC DISEASES; ANTICHOLESTEROL AGENTS; CARDIOVASCULAR DISORDERS; ANTIDEPRESSANTS; BONE DISORDERS PFIZER INC. 2001-02-27 US disclosed
EP-1033364-A1 Cyano containing oxamic acids and derivatives as thyroid receptor ligands Pfizer Products Inc. (US) 2000-09-06 EP disclosed