SCHEMBL21476653

SCHEMBL21476653

Bc1cncc(CCC(=O)OC)c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP11B1 P15538 7/20 0.41
CYP11B2 P19099 7/20 0.41
TBXAS1 P24557 1/20 0.39
CCNC P24863 1/20 0.38
CDK8 P49336 1/20 0.38
TSHR P16473 2/20 0.38
HDAC1 Q13547 1/20 0.37
RPS6KB2 Q9UBS0 1/20 0.37
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.36
HTT P42858 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
SIRT2 Q8IXJ6 1/20 0.36
PTPN1 P18031 2/20 0.35

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
SCHEMBL1532963 0.82 HSP90AB1 (0.47) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL3931688 0.81 CYP11B1 (0.48) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL22186888 0.81 HDAC1 (0.42) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL751036 0.81 CYP11B1 (0.48) CYP11B1CYP11B2TBXAS1KDM4EMAPT
SCHEMBL30701976 0.81 HDAC1 (0.42) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL21475991 0.78 CYP11B1 (0.39) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL7013456 0.78 CYP11B1 (0.46) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL21475921 0.76 CYP11B1 (0.42) CYP11B1CYP11B2TBXAS1CCNCCDK8
SCHEMBL14432345 0.75 SIRT2 (0.51) CYP11B1CYP11B2HDAC1KDM4EALDH1A1
SCHEMBL8113196 0.74 CYP4F2 (0.50) TSHRALDH1A1LMNAMAPTHTT

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
WO-2019200202-A1 ANTAGONISTS OF HUMAN INTEGRIN (ALPHA4)(BETA7) MORPHIC THERAPEUTIC, INC. (US) 2019-10-17 WO disclosed