SCHEMBL7979919

SCHEMBL7979919

COc1ccc(C)c(-c2ccc(O[C@@H](C)[C@H](O)CCc3cccnc3)cc2)c1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.44
CYP11B2 P19099 7/20 0.44
PTAFR P25105 7/20 0.43
HTT P42858 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
GRM2 Q14416 1/20 0.39
CYP19A1 P11511 2/20 0.39
CYP2C9 P11712 1/20 0.39
ACP1 P24666 1/20 0.38
PTGDR Q13258 1/20 0.38
CYP17A1 P05093 1/20 0.38
PDE4B Q07343 1/20 0.38

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
SCHEMBL7979957 1.00 CYP11B1 (0.44) CYP11B1CYP11B2PTAFRHTTSMN1; SMN2
SCHEMBL7980467 0.85 LRRK2 (0.43) PTAFRGRM2
SCHEMBL7980472 0.85 LRRK2 (0.43) PTAFRGRM2
SCHEMBL7966593 0.84 PTAFR (0.48) PTAFR
SCHEMBL7966595 0.84 PTAFR (0.48) PTAFR
SCHEMBL7976726 0.84 PTAFR (0.39) CYP11B1CYP11B2PTAFRHTTSMN1; SMN2
SCHEMBL7833355 0.83 HTT (0.41) CYP11B1CYP11B2PTAFRHTTSMN1; SMN2
SCHEMBL7976863 0.82 PTAFR (0.42) CYP11B1CYP11B2PTAFRHTTSMN1; SMN2
SCHEMBL7966197 0.82 PTAFR (0.42) CYP11B1CYP11B2PTAFRHTTSMN1; SMN2
SCHEMBL7980129 0.82 PTAFR (0.42) CYP11B1CYP11B2PTAFRHTTSMN1; 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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US claimed
US-6300352-B1 FOR THERAPY OF ASTHMA ASTRAZENECA AB (SE) 2001-10-09 US disclosed
US-6140494-A INCREASED WATER SOLUBILITY, INCREASED PHOTOSTABILITY, BRIGHTNESS AND THE POTENTIAL REDUCTION OF INTERACTIONS WITH SURROUNDINGS AMERSHAM PHARMACIA BIOTECH UK LIMITED (GB) 2000-10-31 US disclosed
EP-0971892-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Astra Pharmaceuticals Limited (GB) 2000-01-19 EP disclosed
WO-1998042670-A1 NOVEL PYRIDINE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM ASTRA PHARMACEUTICALS LTD. (GB) 1998-10-01 WO disclosed