SCHEMBL7982986

SCHEMBL7982986

C[C@H](Oc1ccc2cc(CCC(=O)N3CCOCC3)ccc2c1)[C@H](O)CCc1cccnc1

nearest known ligand 0.47

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
FKBP1A P62942 3/20 0.47
CCNC P24863 1/20 0.45
CDK8 P49336 1/20 0.45
CYP4F2 P78329 1/20 0.43
CYP4A11 Q02928 1/20 0.43
C3AR1 Q16581 7/20 0.43
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
TLR8 Q9NR97 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
ALDH1A1 P00352 1/20 0.40
IDH1 O75874 1/20 0.40
PCNA P12004 1/20 0.39

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
SCHEMBL7982982 1.00 FKBP1A (0.47) FKBP1ACCNCCDK8CYP4F2CYP4A11
SCHEMBL7966412 0.85 USP2 (0.44) KMT2AALDH1A1
SCHEMBL7976695 0.83 RAB9A (0.46) CCNCCDK8MEN1KMT2AALDH1A1
SCHEMBL7982584 0.81 CCNC (0.40) CCNCCDK8CYP4F2CYP4A11
SCHEMBL7982586 0.81 CCNC (0.40) CCNCCDK8CYP4F2CYP4A11
Oxalic Acid SCHEMBL7978632 0.80 MAPT (0.43) CCNCCDK8MEN1KMT2AALDH1A1
SCHEMBL7976690 0.79 USP2 (0.45) MEN1KMT2AALDH1A1
SCHEMBL7976964 0.77 CACNA2D1 (0.41)
SCHEMBL7966194 0.77 CACNA2D1 (0.41)
SCHEMBL7982543 0.76 ALDH1A1 (0.43) C3AR1MEN1KMT2AALDH1A1

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 disclosed