SCHEMBL7976964

SCHEMBL7976964

CNCCCc1ccc2cc(OC(C)C(O)CCc3cccnc3)ccc2c1

nearest known ligand 0.46

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CACNA2D1 P54289 2/20 0.41
PTAFR P25105 10/20 0.41
NOS1 P29475 1/20 0.39
TBXAS1 P24557 1/20 0.39
POLB P06746 1/20 0.38
HPGD P15428 1/20 0.38
ACP1 P24666 1/20 0.38
NAMPT P43490 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
SCHEMBL7966194 1.00 CACNA2D1 (0.41) CACNA2D1PTAFRNOS1TBXAS1POLB
SCHEMBL7982584 0.85 CCNC (0.40) PTAFRTBXAS1POLBHPGD
SCHEMBL7982586 0.85 CCNC (0.40) PTAFRTBXAS1POLBHPGD
SCHEMBL7982565 0.82 POLB (0.40) PTAFRPOLBHPGD
SCHEMBL7982583 0.81 CYP1A2 (0.47) PTAFRPOLBHPGDNAMPT
SCHEMBL7982797 0.81 CYP1A2 (0.47) PTAFRPOLBHPGDNAMPT
SCHEMBL7966412 0.81 USP2 (0.44) POLBNAMPT
SCHEMBL7982982 0.77 FKBP1A (0.47)
SCHEMBL7982986 0.77 FKBP1A (0.47)
SCHEMBL7979920 0.75 POLB (0.43) PTAFRPOLBHPGDNAMPT

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 1 patent. 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