SCHEMBL8910310

SCHEMBL8910310

COC(=O)[C@@H](NCc1ccc2cc(-c3ccccc3C#N)ccc2c1)C(C)C

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 1/20 0.42
FFAR1 O14842 3/20 0.40
AKR1B1 P15121 1/20 0.40
MYC P01106 1/20 0.39
WDR5 P61964 1/20 0.39
ALDH1A1 P00352 2/20 0.39
PTPN1 P18031 1/20 0.39
ANPEP P15144 1/20 0.39
MME P08473 1/20 0.38
SLC6A2 P23975 1/20 0.38
SLC6A4 P31645 1/20 0.38
SLC6A3 Q01959 1/20 0.38
CYP1A2 P05177 1/20 0.37
HPGD P15428 1/20 0.37
HSD17B10 Q99714 1/20 0.37
ADAMTS4 O75173 2/20 0.37
MMP13 P45452 2/20 0.37
METTL3 Q86U44 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 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
SCHEMBL8813467 0.90 FFAR1 (0.44) ABL1FFAR1AKR1B1MYCWDR5
SCHEMBL8065614 0.89 MYC (0.45) FFAR1AKR1B1MYCWDR5PTPN1
SCHEMBL2432 0.89 MYC (0.45) FFAR1AKR1B1MYCWDR5PTPN1
SCHEMBL2174 0.89 MYC (0.45) FFAR1AKR1B1MYCWDR5PTPN1
Hydrochloric Acid SCHEMBL3526296 0.88 MYC (0.45) FFAR1AKR1B1MYCWDR5ALDH1A1
Hydrochloric Acid SCHEMBL15663201 0.88 MYC (0.45) FFAR1AKR1B1MYCWDR5ALDH1A1
Oxalic Acid SCHEMBL1616541 0.86 MME (0.44) FFAR1AKR1B1MYCWDR5PTPN1
SCHEMBL3121 0.80 MYC (0.43) FFAR1AKR1B1MYCWDR5ALDH1A1
SCHEMBL2465 0.80 MYC (0.43) FFAR1AKR1B1MYCWDR5ALDH1A1
SCHEMBL14004740 0.79 FFAR1 (0.48) FFAR1AKR1B1MYCWDR5PTPN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5620998-A CARDIOVASCULAR DISORDERS; HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1997-04-15 US disclosed
US-5506240-A HYPOTENSIVE AGENTS CIBA-GEIGY CORPORATION (US) 1996-04-09 US disclosed