SCHEMBL9469843

SCHEMBL9469843

COCCOCC(CC1(C(=O)NC2CCC(C(=O)OC(C)(C)C)CC2)CCCC1)C(=O)OCc1ccccc1

nearest known ligand 0.59

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MME P08473 10/20 0.59
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
TSHR P16473 1/20 0.37
CAPN1 P07384 5/20 0.36
CTSL P07711 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MAPT P10636 1/20 0.34
MAPK1 P28482 1/20 0.34
NTSR1 P30989 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34

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
SCHEMBL9469837 1.00 MME (0.59) MMEALDH1A1GAATSHRCAPN1
SCHEMBL5924918 0.94 MME (0.59) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9470220 0.91 MME (0.60) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9470216 0.91 MME (0.60) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469848 0.90 MME (0.72) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469850 0.90 MME (0.72) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469802 0.88 MME (0.50) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469805 0.88 MME (0.50) MMEALDH1A1GAATSHRCTSL
SCHEMBL9469547 0.84 MME (0.77) MMEALDH1A1GAATSHRCAPN1
SCHEMBL9469545 0.84 MME (0.77) MMEALDH1A1GAATSHRCAPN1

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-5192800-A Hypotensive agents PFIZER INC. (US) 1993-03-09 US disclosed
US-5030654-A Glutaramide diuretic agents PFIZER INC. (US) 1991-07-09 US disclosed