SCHEMBL10940971

SCHEMBL10940971

CC(=O)c1c(C(=O)O)ccn1C.c1cc2cc-2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACMSD Q8TDX5 4/20 0.42
BRD4 O60885 1/20 0.40
LIPG Q9Y5X9 1/20 0.40
KMO O15229 1/20 0.40
HNF4A P41235 2/20 0.38
MCL1 Q07820 2/20 0.38
DHFR P00374 1/20 0.38
PTPN1 P18031 2/20 0.37
RXRA P19793 2/20 0.36
RXRB P28702 2/20 0.36
CYP1A2 P05177 1/20 0.36
AKR1C2 P52895 1/20 0.36
AKR1C1 Q04828 1/20 0.36
CFD P00746 1/20 0.36
NOTUM Q6P988 1/20 0.36
ACLY P53396 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL10940677 0.87 BRD4 (0.43) ACMSDBRD4LIPGKMOHNF4A
SCHEMBL10940107 0.83 NR4A2 (0.46) BRD4LIPGMEN1ALDH1A1GAA
SCHEMBL10940902 0.77 NR4A2 (0.43) BRD4LIPGCYP1A2MEN1ALDH1A1
SCHEMBL2781478 0.77 NOTUM (0.41) PTPN1CYP1A2NOTUMMEN1ALDH1A1
SCHEMBL9723823 0.75 NOTUM (0.40) PTPN1CYP1A2NOTUMMEN1ALDH1A1
SCHEMBL9635530 0.71 ALDH1A1 (0.50) PTPN1ALDH1A1KMT2A
SCHEMBL31342301 0.71 AKR1C3 (0.50) NOTUMALDH1A1
SCHEMBL7853670 0.70 NOTUM (0.37) PTPN1CYP1A2NOTUMMEN1ALDH1A1
SCHEMBL3260481 0.70 LIPG (0.45) ACMSDLIPGHNF4AMCL1DHFR
Acetic Acid SCHEMBL734741 0.70 KMO (0.56) ACMSDKMOPTPN1RXRARXRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4511575-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4511576-A Antidiabetic pyrrolecarboxylic acids PFIZER INC. (US) 1985-04-16 US disclosed
US-4351843-A LOWERING BLOOD GLUCOSE PFIZER INC. (US) 1982-09-28 US disclosed
US-4282242-A HYPOGLYCEMIC AGENTS PFIZER INC. (US) 1981-08-04 US disclosed