SCHEMBL7976695

SCHEMBL7976695

CC(Oc1ccc2cc(C=CC(=O)N3CCOCC3)ccc2c1)C(O)CCc1cccnc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 7/20 0.46
NPC1 O15118 6/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
MAPK1 P28482 1/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
APP P05067 2/20 0.45
KDM4E B2RXH2 2/20 0.45
HPGD P15428 2/20 0.45
CCNC P24863 3/20 0.43
CDK8 P49336 3/20 0.43
TRPV1 Q8NER1 1/20 0.42
POLB P06746 1/20 0.42
ITGB2 P05107 2/20 0.42
ICAM1 P05362 2/20 0.42
ITGAL P20701 2/20 0.42
TDP1 Q9NUW8 1/20 0.41
ALDH1A1 P00352 1/20 0.40
MAOB P27338 1/20 0.40
NAMPT P43490 1/20 0.40

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 0.83 FKBP1A (0.47) MEN1KMT2ACCNCCDK8ALDH1A1
SCHEMBL7982986 0.83 FKBP1A (0.47) MEN1KMT2ACCNCCDK8ALDH1A1
SCHEMBL7966317 0.82 MEN1 (0.44) MEN1KMT2AAPPCCNCCDK8
SCHEMBL7966316 0.82 MEN1 (0.44) MEN1KMT2AAPPCCNCCDK8
SCHEMBL7966314 0.82 MEN1 (0.44) MEN1KMT2AAPPCCNCCDK8
SCHEMBL7976690 0.81 USP2 (0.45) RAB9ANPC1SMN1; SMN2MAPK1MEN1
SCHEMBL7966412 0.79 USP2 (0.44) SMN1; SMN2KMT2APOLBALDH1A1NAMPT
Oxalic Acid SCHEMBL7978632 0.77 MAPT (0.43) RAB9AMEN1KMT2AKDM4EHPGD
SCHEMBL7982583 0.74 CYP1A2 (0.47) SMN1; SMN2HPGDPOLBALDH1A1NAMPT
SCHEMBL7982797 0.74 CYP1A2 (0.47) SMN1; SMN2HPGDPOLBALDH1A1NAMPT

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