SCHEMBL8840571

SCHEMBL8840571

Cc1ccc(-c2ccc(C(=O)O)c(C)c2)cc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.65
RXRB P28702 3/20 0.62
RXRA P19793 2/20 0.60
RARB P10826 1/20 0.58
AKR1C2 P52895 1/20 0.53
AKR1C1 Q04828 1/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
ALDH1A1 P00352 1/20 0.50
HNF4A P41235 1/20 0.48
ACMSD Q8TDX5 1/20 0.48
EGLN1 Q9GZT9 1/20 0.47
AKR1C3 P42330 1/20 0.47
CSNK2A1 P68400 1/20 0.47
SRD5A2 P31213 1/20 0.45
DHODH Q02127 1/20 0.45
CAMKK2 Q96RR4 1/20 0.45
XDH P47989 2/20 0.44
SLC22A12 Q96S37 1/20 0.44

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
SCHEMBL1498034 0.92 RXRB (0.70) MCL1RXRBRXRARARBHNF4A
SCHEMBL29771992 0.92 RXRB (0.70) MCL1RXRBRXRARARBHNF4A
Hydrochloric Acid SCHEMBL9150803 0.90 RXRB (0.68) MCL1RXRBRXRARARBHNF4A
Hydrochloric Acid SCHEMBL4365452 0.90 RXRB (0.68) MCL1RXRBRXRARARBHNF4A
SCHEMBL122517 0.88 ACMSD (0.63) MCL1RXRBRXRARARBSMN1; SMN2
SCHEMBL13522888 0.88 ACMSD (0.63) MCL1RXRBRXRARARBSMN1; SMN2
SCHEMBL29926573 0.88 ACMSD (0.63) MCL1RXRBRXRARARBSMN1; SMN2
SCHEMBL8960674 0.88 RXRB (0.62) MCL1RXRBRXRARARBSMN1; SMN2
SCHEMBL17177748 0.88 RXRB (0.71) MCL1RXRBRXRARARBHNF4A
SCHEMBL2353325 0.87 RARB (0.79) MCL1RXRBRXRARARBALDH1A1

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
JP-9067314-A None JP disclosed
JP-H0967314-A PURIFICATION OF DIMETHYL-4,4'-BIPHENYLDICARBONXLATE NIPPON STEEL CHEM CO LTD 1997-03-11 JP disclosed