SCHEMBL6582663

SCHEMBL6582663

O=C(CCc1ccccc1)Nc1cccc(C(=O)CO)c1

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.73
GAA P10253 3/20 0.73
ALDH1A1 P00352 3/20 0.70
HPGD P15428 1/20 0.70
HTT P42858 1/20 0.65
RAB9A P51151 5/20 0.60
ALOX15 P16050 1/20 0.60
NPC1 O15118 4/20 0.60
SENP1 Q9P0U3 3/20 0.58
POLB P06746 1/20 0.54
LMNA P02545 1/20 0.54
SMN1; SMN2 Q16637 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
SCHEMBL8115142 0.92 NPC1 (0.66) MAPTGAAALDH1A1HPGDHTT
SCHEMBL8113896 0.91 NPC1 (0.61) MAPTGAAALDH1A1HPGDHTT
SCHEMBL6579892 0.90 NPC1 (0.60) MAPTGAAALDH1A1HPGDHTT
SCHEMBL28745974 0.87 GAA (0.79) MAPTGAAALDH1A1HPGDHTT
SCHEMBL6580505 0.86 KMT2A (0.69) MAPTALDH1A1HPGDHTTPOLB
SCHEMBL2836732 0.82 ALDH1A1 (1.00) MAPTGAAALDH1A1HPGDHTT
SCHEMBL7244561 0.82 ALDH1A1 (0.72) MAPTGAAALDH1A1HPGDHTT
SCHEMBL3970194 0.81 F2R (0.58) MAPTALDH1A1HPGDSMN1; SMN2
SCHEMBL4658103 0.81 GAA (0.69) MAPTGAAALDH1A1HPGDHTT
SCHEMBL6577998 0.80 NR1H4 (0.65) MAPTALDH1A1HTTRAB9APOLB

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