SCHEMBL9756945

SCHEMBL9756945

CCc1ccncc1C=CC(=O)O

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.45
CDK8 P49336 6/20 0.45
TBXAS1 P24557 5/20 0.42
EGFR P00533 1/20 0.41
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
NFKB1 P19838 1/20 0.40
CA4 P22748 1/20 0.40
FTO Q9C0B1 2/20 0.39
KDM6B O15054 1/20 0.39
ALKBH2 Q6NS38 1/20 0.39
ALKBH3 Q96Q83 1/20 0.39
KDM5B Q9UGL1 1/20 0.39
KDM2A Q9Y2K7 1/20 0.39
KDM3A Q9Y4C1 1/20 0.39
P4HTM Q9NXG6 1/20 0.39
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
GAA P10253 1/20 0.39
PTGER3 P43115 2/20 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
SCHEMBL9756944 1.00 CCNC (0.45) CCNCCDK8TBXAS1EGFRCA1
SCHEMBL21855475 0.83 CCNC (0.41) CCNCCDK8TBXAS1KDM4EALDH1A1
SCHEMBL9000501 0.77 CYP2E1 (0.39) CCNCCDK8SMN1; SMN2
SCHEMBL9757050 0.76 CCNC (0.54) CCNCCDK8TBXAS1CA1CA2
SCHEMBL3539831 0.76 CCNC (0.47) CCNCCDK8TBXAS1CA1CA2
SCHEMBL9756927 0.76 CCNC (0.50) CCNCCDK8TBXAS1CA1CA2
SCHEMBL9756928 0.76 CCNC (0.50) CCNCCDK8TBXAS1CA1CA2
SCHEMBL9757045 0.76 CCNC (0.54) CCNCCDK8TBXAS1CA1CA2
SCHEMBL18169371 0.76 MAPT (0.48) CCNCCDK8TBXAS1CA1CA2
SCHEMBL3539836 0.76 CCNC (0.47) CCNCCDK8TBXAS1CA1CA2

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-5039684-A Absorption when administered orally VALEAS S. P. A. (IT) 1991-08-13 US disclosed
EP-0384450-A1 Tetrazole amide derivatives of heterocyclic alkenyl acids and their use as antiallergic substances VALEAS S.p.A. INDUSTRIA CHIMICA E FARMACEUTICA (IT) 1990-08-29 EP disclosed