SCHEMBL21157447

SCHEMBL21157447

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

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 2/20 0.57
ERN1 O75460 7/20 0.50
AKR1C2 P52895 1/20 0.47
AKR1C1 Q04828 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.46
BCL2L1 Q07817 1/20 0.43
BAD Q92934 1/20 0.43
HNF4A P41235 1/20 0.43
ACMSD Q8TDX5 1/20 0.43
EGLN1 Q9GZT9 1/20 0.43
SRC P12931 1/20 0.42
CSNK2A1 P68400 1/20 0.42
DHODH Q02127 2/20 0.41
XDH P47989 2/20 0.41
SLC22A12 Q96S37 1/20 0.41

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
SCHEMBL2591111 0.86 ACMSD (0.59) MCL1ERN1BCL2L1BADHNF4A
SCHEMBL1795086 0.85 SRC (0.56) MCL1ERN1SMN1; SMN2SRCCSNK2A1
SCHEMBL25741026 0.80 ERN1 (0.54) ERN1
SCHEMBL16351974 0.80 MCL1 (0.72) MCL1AKR1C2AKR1C1SMN1; SMN2HNF4A
SCHEMBL8840571 0.78 MCL1 (0.65) MCL1AKR1C2AKR1C1SMN1; SMN2HNF4A
SCHEMBL12650689 0.78 ERN1 (0.42) MCL1ERN1BCL2L1BADHNF4A
SCHEMBL5333100 0.77 ERN1 (0.66) MCL1ERN1
SCHEMBL28926892 0.76 ERN1 (0.53) MCL1ERN1HNF4AACMSD
SCHEMBL10052771 0.75 MCL1 (0.61) MCL1AKR1C2AKR1C1SMN1; SMN2HNF4A
SCHEMBL21857738 0.75 PPM1B (0.67) MCL1AKR1C2AKR1C1SMN1; SMN2HNF4A

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-RE47437-E1 Prolyl hydroxylase inhibitors and methods of use AKEBIA THERAPEUTICS, INC. (US) 2019-06-18 US disclosed