SCHEMBL10887366

SCHEMBL10887366

Oc1cccc(N2CCCCCC2)c1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.58
KMT2A Q03164 4/20 0.58
DRD2 P14416 2/20 0.57
DRD3 P35462 1/20 0.56
ALDH1A1 P00352 4/20 0.55
GAA P10253 2/20 0.55
KDM4E B2RXH2 1/20 0.55
HPGD P15428 1/20 0.55
HSD17B10 Q99714 1/20 0.55
KIF11 P52732 5/20 0.53
AGXT P21549 1/20 0.51
HTT P42858 2/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
USP2 O75604 1/20 0.51
TNNI3 P19429 1/20 0.51
TNNT2 P45379 1/20 0.51
TNNC1 P63316 1/20 0.51
TLR9 Q9NR96 1/20 0.51
MAPT P10636 2/20 0.50
OPRM1 P35372 1/20 0.50

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
SCHEMBL1263793 1.00 MEN1 (0.58) MEN1KMT2ADRD2DRD3ALDH1A1
Hydrochloric Acid SCHEMBL10646814 0.98 MEN1 (0.56) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL1599836 0.98 MEN1 (0.60) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL29774627 0.98 MEN1 (0.60) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL17144785 0.94 MEN1 (0.60) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL29914690 0.94 MEN1 (0.60) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL9723025 0.89 DRD2 (0.68) MEN1KMT2ADRD2DRD3ALDH1A1
SCHEMBL22685038 0.84 ALDH1A1 (0.59) MEN1KMT2AALDH1A1GAAKDM4E
SCHEMBL6348865 0.82 CHRNB2 (0.60) DRD2DRD3ALDH1A1HTTMAPT
Phenol SCHEMBL28279448 0.81 ALDH1A1 (0.53) MEN1KMT2AALDH1A1GAAKDM4E

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-0082599-B1 M-HYDROXYPHENYL SUBSTITUTED COMPOUNDS JOHN WYETH & BROTHER LIMITED (GB) 1986-01-15 EP disclosed
US-4463177-A Process for making m-hydroxyphenyl substituted compounds JOHN WYETH & BROTHER LIMITED (GB) 1984-07-31 US disclosed
EP-0082599-A1 m-Hydroxyphenyl substituted compounds JOHN WYETH & BROTHER LIMITED (GB) 1983-06-29 EP disclosed