SCHEMBL9834403

SCHEMBL9834403

COSc1ccc2c(c1)CC(=O)CO2

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.34
NPC1 O15118 1/20 0.34
ALDH1A1 P00352 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34
ALOX12 P18054 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
TDP1 Q9NUW8 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
SCHEMBL7304831 0.76 MAPT (0.56) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL11926931 0.74 MMP12 (0.49) NPC1ALDH1A1GAAMAPTRAB9A
SCHEMBL21225212 0.71 PTGS1 (0.33) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL28030845 0.70 NR3C2 (0.40) KDM4ENPC1ALDH1A1GAAMAPT
SCHEMBL1758974 0.70 APP (0.42) MAPTTDP1
SCHEMBL429962 0.70 MAOB (0.42) KDM4ENPC1MAPTRAB9ASMN1; SMN2
SCHEMBL9833303 0.70 CYP1A2 (0.33)
SCHEMBL9786951 0.69 CYP3A4 (0.50) KDM4EALDH1A1GAAMAPTHPGD
Hydrochloric Acid SCHEMBL752468 0.68 MTNR1A (0.35) ALOX12
SCHEMBL3962887 0.67 CYP1A2 (0.54) NPC1ALDH1A1MAPTRAB9ASMN1; SMN2

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
EP-0161218-B1 BENZO-(PYRANO AND THIOPYRANO)PYRIDINES CIBA-GEIGY AG (CH) 1991-06-26 EP disclosed
US-4721787-A CONDENSATION, REDUCTION, DEHYDRATION CIBA-GEIGY CORPORATION (US) 1988-01-26 US disclosed
US-4604397-A Certain benzo-(pyrano and thiopyrano)-pyridines, useful as CNS agents CIBA-GEIGY CORPORATION (US) 1986-08-05 US disclosed
EP-0161218-A2 Benzo-(pyrano and thiopyrano)pyridines CIBA-GEIGY AG (CH) 1985-11-13 EP disclosed