SCHEMBL8419112

SCHEMBL8419112

CCCCNC(=O)Nc1cccc(C(=O)OCc2ccc(-c3ccccc3C#N)cc2)c1N

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 5/20 0.45
POLB P06746 1/20 0.41
USP2 O75604 1/20 0.40
FFAR1 O14842 1/20 0.39
AKR1B1 P15121 1/20 0.39
ALDH1A1 P00352 5/20 0.39
TSHR P16473 2/20 0.39
CYP3A4 P08684 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 3/20 0.38
LMNA P02545 3/20 0.38
HPGD P15428 4/20 0.38
HTT P42858 2/20 0.38
NPSR1 Q6W5P4 2/20 0.38
GAA P10253 2/20 0.37
CCNE2 O96020 1/20 0.37
CDK4 P11802 1/20 0.37
CCND1 P24385 1/20 0.37
CCNE1 P24864 1/20 0.37

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
SCHEMBL7960903 0.80 BDKRB1 (0.47) L3MBTL1POLBUSP2ALDH1A1KDM4E
SCHEMBL3977075 0.78 LTB4R2 (0.46) L3MBTL1POLBUSP2ALDH1A1TSHR
SCHEMBL8419109 0.78 FFAR1 (0.39) L3MBTL1FFAR1AKR1B1ALDH1A1TSHR
SCHEMBL8421301 0.74 RAB9A (0.48) L3MBTL1FFAR1AKR1B1ALDH1A1TSHR
SCHEMBL27453802 0.71 FFAR1 (0.53) FFAR1AKR1B1ALDH1A1TSHRHPGD
SCHEMBL7376271 0.71 ALDH1A1 (0.42) L3MBTL1FFAR1AKR1B1ALDH1A1TSHR
SCHEMBL9339237 0.71 PPARG (0.46)
SCHEMBL18998062 0.70 FFAR1 (0.45) L3MBTL1FFAR1AKR1B1ALDH1A1TSHR
SCHEMBL3974833 0.69 ALDH1A1 (0.42) L3MBTL1ALDH1A1CYP3A4TDP1MAPK1
SCHEMBL4008849 0.69 FFAR1 (0.57) L3MBTL1FFAR1AKR1B1ALDH1A1MAPK1

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-5962491-A ANGIOTENSIN ANTAGONIST, HYPOTENSIVE AGENTS, CARDIOVASCULAR DISORDERS, STROKES TAKEDA CHEMICAL INDUSTRIES, LTD. (JP) 1999-10-05 US disclosed