SCHEMBL7982584

SCHEMBL7982584

CNC(=O)CCc1ccc2cc(OC(C)C(O)CCc3cccnc3)ccc2c1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CCNC P24863 1/20 0.40
CDK8 P49336 1/20 0.40
HSD17B1 P14061 1/20 0.40
HSD17B2 P37059 1/20 0.40
POLB P06746 1/20 0.39
HPGD P15428 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C9 P11712 1/20 0.39
CYP2C19 P33261 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
CYP4F2 P78329 1/20 0.39
CYP4A11 Q02928 1/20 0.39
HTT P42858 1/20 0.39
LMNA P02545 1/20 0.39
PTAFR P25105 4/20 0.39
MTNR1A P48039 1/20 0.39
TBXAS1 P24557 3/20 0.38
HCAR2 Q8TDS4 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
SCHEMBL7982586 1.00 CCNC (0.40) CCNCCDK8HSD17B1HSD17B2POLB
SCHEMBL7966194 0.85 CACNA2D1 (0.41) POLBHPGDPTAFRTBXAS1
SCHEMBL7976964 0.85 CACNA2D1 (0.41) POLBHPGDPTAFRTBXAS1
SCHEMBL7978383 0.82 LMNA (0.46) POLBHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL7978380 0.82 LMNA (0.46) POLBHPGDCYP1A2CYP3A4CYP2C9
SCHEMBL7982986 0.81 FKBP1A (0.47) CCNCCDK8CYP4F2CYP4A11
SCHEMBL7982982 0.81 FKBP1A (0.47) CCNCCDK8CYP4F2CYP4A11
SCHEMBL7982583 0.81 CYP1A2 (0.47) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL7982797 0.81 CYP1A2 (0.47) POLBHPGDCYP1A2CYP3A4CYP2C19
SCHEMBL7979963 0.79 PTAFR (0.47) POLBHPGDSMN1; SMN2HTTLMNA

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