SCHEMBL6580028

SCHEMBL6580028

CCC(=O)Nc1cccc(C(=O)CO)c1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.68
RAB9A P51151 5/20 0.61
POLB P06746 1/20 0.61
NR4A1 P22736 1/20 0.61
ALDH1A1 P00352 7/20 0.61
MAPK1 P28482 1/20 0.61
GAA P10253 1/20 0.59
KMT2A Q03164 7/20 0.57
MEN1 O00255 6/20 0.57
SMN1; SMN2 Q16637 6/20 0.57
LMNA P02545 5/20 0.57
MAPT P10636 4/20 0.57
CYP1A2 P05177 2/20 0.57
CYP2C19 P33261 2/20 0.57
TDP1 Q9NUW8 1/20 0.57
NPC1 O15118 2/20 0.55
SMYD3 Q9H7B4 1/20 0.53
ATM Q13315 1/20 0.53
CYP3A4 P08684 2/20 0.52
CYP2C9 P11712 1/20 0.52

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
SCHEMBL3970194 0.88 F2R (0.58) L3MBTL1ALDH1A1KMT2AMEN1SMN1; SMN2
SCHEMBL5820518 0.85 L3MBTL1 (0.73) L3MBTL1RAB9APOLBNR4A1ALDH1A1
SCHEMBL11803436 0.83 L3MBTL1 (0.71) L3MBTL1RAB9APOLBNR4A1ALDH1A1
SCHEMBL10964661 0.83 L3MBTL1 (0.77) L3MBTL1RAB9APOLBNR4A1ALDH1A1
SCHEMBL909726 0.83 HDAC3 (0.58) RAB9APOLBNR4A1ALDH1A1KMT2A
SCHEMBL6579757 0.83 MEN1 (0.59) RAB9APOLBALDH1A1KMT2AMEN1
SCHEMBL6579989 0.83 MEN1 (0.59) RAB9APOLBALDH1A1KMT2AMEN1
SCHEMBL10970617 0.82 RAB9A (0.85) L3MBTL1RAB9APOLBNR4A1ALDH1A1
SCHEMBL5524698 0.82 KMT2A (0.71) L3MBTL1RAB9APOLBNR4A1ALDH1A1
SCHEMBL30716404 0.82 KMT2A (0.71) L3MBTL1RAB9APOLBNR4A1ALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0716088-B1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL CO (JP) 2004-02-18 EP disclosed
US-5597929-A Production process of 2-(tetrazol-5-yl)-4-oxo-4H-benzopyran SUMITOMO CHEMICAL CO., LTD. (JP) 1997-01-28 US disclosed
EP-0716088-A1 PROCESS FOR PRODUCING 2-(TETRAZOL-5-YL)-4-OXO-4H-BENZOPYRANS SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1996-06-12 EP disclosed