SCHEMBL2722471

SCHEMBL2722471

CC(C)(C)C1(c2cc[c]cc2)CCCCC1

nearest known ligand 0.31

Predicted protein targets (top 2)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 1/20 0.31
ESR2 Q92731 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
SCHEMBL6679136 0.82 ADORA3 (0.33)
SCHEMBL16335846 0.79 SLC6A4 (0.44)
SCHEMBL12084167 0.76 SLC6A3 (0.49)
SCHEMBL17465651 0.76 HSD11B1 (0.36) ESR1ESR2
SCHEMBL13425236 0.73 SLC6A3 (0.44)
SCHEMBL17465647 0.73 CYP19A1 (0.33)
SCHEMBL25674 0.72 ALDH1A1 (0.31) ESR1ESR2
SCHEMBL307621 0.72 ESR1 (0.54) ESR1ESR2
SCHEMBL19388459 0.71 SLC6A4 (0.49)
SCHEMBL1814521 0.70

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114502543-A Targeted protein compounds, pharmaceutical compositions and therapeutic applications thereof 拜欧斯瑞克斯公司 2022-05-13 CN disclosed
CN-107669669-A novel glucagon receptor antagonist 症变治疗公司 2018-02-09 CN disclosed
CN-101610995-B Glucagon receptor antagonists 症变治疗公司 2017-08-08 CN disclosed
EP-2632929-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2013-09-04 EP disclosed
WO-2012056419-A1 N-HETEROCYCLIC CARBENE COMPLEXES, THEIR PREPARATION AND USE BASF SE (DE) 2012-05-03 WO disclosed
US-4064344-A ANTIBIOTIC MERCK & CO., INC. (US) 1977-12-20 US disclosed
US-3974151-A Cephalosporin compounds MERCK & CO., INC. (US) 1976-08-10 US disclosed