SCHEMBL7976683

SCHEMBL7976683

C[C@H](Oc1ccc(-c2ccc(C#N)c(C#N)c2)cc1)[C@H](O)CCc1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
CYP19A1 P11511 3/20 0.42
PTAFR P25105 3/20 0.40
PPARG P37231 1/20 0.37
NCOA2 Q15596 1/20 0.37
NCOA1 Q15788 1/20 0.37
NCOA3 Q9Y6Q9 1/20 0.37
POLB P06746 1/20 0.36
HPGD P15428 1/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HTT P42858 1/20 0.36
KCNJ1 P48048 1/20 0.36

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
SCHEMBL8020645 1.00 CYP19A1 (0.42) CYP19A1PTAFRPPARGNCOA2NCOA1
SCHEMBL7976679 1.00 CYP19A1 (0.42) CYP19A1PTAFRPPARGNCOA2NCOA1
SCHEMBL7982723 0.92 PTAFR (0.38) CYP19A1PTAFRPPARGNCOA2NCOA1
SCHEMBL7982720 0.92 PTAFR (0.38) CYP19A1PTAFRPPARGNCOA2NCOA1
SCHEMBL7982496 0.91 CYP11B2 (0.39) CYP19A1PTAFRPPARGNCOA2NCOA1
SCHEMBL7980330 0.91 CYP11B1 (0.47) CYP11B1CYP11B2KCNJ1
SCHEMBL7982493 0.91 CYP11B2 (0.39) CYP19A1PTAFRPPARGNCOA2NCOA1
SCHEMBL7980327 0.91 CYP11B1 (0.47) CYP11B1CYP11B2KCNJ1
SCHEMBL7966286 0.91 CYP11B1 (0.39) PTAFRPPARGNCOA2NCOA1NCOA3
SCHEMBL7966288 0.91 CYP11B1 (0.39) PTAFRPPARGNCOA2NCOA1NCOA3

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 2 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