SCHEMBL6580473

SCHEMBL6580473

CC(=O)c1cccc(NC(=O)c2ccc(OCc3ccc(C)cc3)cc2)c1O

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H4 Q96RI1 3/20 0.60
▸ MAOB P27338 2/20 0.57
▸ ALDH1A1 P00352 2/20 0.57
▸ MAPT P10636 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ HDAC1 Q13547 2/20 0.54
▸ HDAC3 O15379 1/20 0.54
▸ NPC1 O15118 4/20 0.52
▸ RAB9A P51151 4/20 0.52
▸ MEN1 O00255 4/20 0.52
▸ KMT2A Q03164 4/20 0.52
▸ SMN1; SMN2 Q16637 3/20 0.52
▸ SENP7 Q9BQF6 2/20 0.52
▸ LMNA P02545 1/20 0.52
▸ CASP3 P42574 1/20 0.52
▸ TAAR1 Q96RJ0 1/20 0.52
▸ SENP8 Q96LD8 1/20 0.52
▸ SENP6 Q9GZR1 1/20 0.52
▸ RXFP1 Q9HBX9 1/20 0.51
▸ HDAC2 Q92769 1/20 0.51

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
SCHEMBL6580051 0.91 ALDH1A1 (0.57) ALDH1A1MAPTHDAC1HDAC3NPC1
SCHEMBL6577738 0.91 NPC1 (0.63) NR1H4MAOBMAPK1HDAC1HDAC3
SCHEMBL6577537 0.90 NPC1 (0.59) NR1H4MAOBALDH1A1MAPTHDAC1
SCHEMBL6580460 0.86 NPC1 (0.48) ALDH1A1MAPTNPC1RAB9AMEN1
SCHEMBL6580357 0.86 NPC1 (0.55) NR1H4ALDH1A1MAPTNPC1RAB9A
SCHEMBL6579947 0.83 NPC1 (0.67) ALDH1A1MAPTMAPK1NPC1RAB9A
SCHEMBL6577703 0.81 PLK1 (0.64) NR1H4MAPTNPC1RAB9AMEN1
SCHEMBL6580071 0.81 PLK1 (0.58) NR1H4ALDH1A1MAPTNPC1RAB9A
SCHEMBL6582795 0.81 F10 (0.57) ALDH1A1MAPTHDAC1HDAC3NPC1
SCHEMBL6581893 0.80 BCHE (0.55) NR1H4MAPTNPC1RAB9AMEN1

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
Send feedback