SCHEMBL3633116

SCHEMBL3633116

CCCCOC(=O)c1ccccc1-c1ccc(C)cc1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.67
TDP1 Q9NUW8 3/20 0.67
L3MBTL1 Q9Y468 2/20 0.67
CYP3A4 P08684 2/20 0.60
MAPK1 P28482 2/20 0.60
TP53 P04637 1/20 0.60
SCN1A P35498 2/20 0.60
SCN2A Q99250 2/20 0.60
SCN3A Q9NY46 2/20 0.60
ALDH1A1 P00352 7/20 0.59
LMNA P02545 1/20 0.59
HSD17B10 Q99714 2/20 0.58
KDM4E B2RXH2 2/20 0.52
POLB P06746 1/20 0.52
LTB4R2 Q9NPC1 1/20 0.47
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
CYP1A2 P05177 1/20 0.46
CYP2C19 P33261 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46

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
SCHEMBL29500191 1.00 TSHR (0.67) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL15907643 0.94 ALDH1A1 (0.68) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL2137523 0.90 TSHR (0.73) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL8873461 0.87 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL29500171 0.86 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL3230316 0.86 TSHR (0.65) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL14557460 0.86 TSHR (0.83) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL5893357 0.85 TSHR (0.73) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL3628418 0.85 TSHR (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1
SCHEMBL3631447 0.85 TSHR (0.61) TSHRTDP1L3MBTL1CYP3A4MAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-114436833-A Preparation method of telmisartan key intermediate 4' -methylbiphenyl-2-carboxylic ester 南京红太阳医药研究院有限公司 2022-05-06 CN disclosed
EP-2146963-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS Theravance, Inc. (US) 2010-01-27 EP disclosed
WO-2008133896-A2 DUAL-ACTING ANTIHYPERTENSIVE AGENTS THERAVANCE, INC. (US) 2008-11-06 WO disclosed
US-5166206-A Hypotensive agents, central nervous system disorders, glaucoma or angiotensin antagonist MERCK & CO., INC. (US) 1992-11-24 US disclosed
EP-0400974-A2 Substituted imidazo-fused 6-membered heterocycles as angiotensin II antagonists MERCK & CO. INC. (US) 1990-12-05 EP disclosed