SCHEMBL4698263

SCHEMBL4698263

CCC(=O)c1cc(C)c(C)cc1NCC(=O)Nc1ccccc1C(=O)O

nearest known ligand 0.50

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.49
SMN1; SMN2 Q16637 5/20 0.49
LMNA P02545 5/20 0.49
KDM4E B2RXH2 4/20 0.49
MAPT P10636 2/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
POLB P06746 1/20 0.49
KMT2A Q03164 4/20 0.49
HTT P42858 1/20 0.48
MEN1 O00255 3/20 0.47
RAB9A P51151 6/20 0.47
AGTR1 P30556 1/20 0.47
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
NPC1 O15118 5/20 0.45
HCAR2 Q8TDS4 2/20 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
SCHEMBL27727530 0.92 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4650759 0.88 KMT2A (0.51) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4650555 0.84 KDM4E (0.59) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4650513 0.84 ALDH1A1 (0.49) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL29193536 0.82 KMT2A (0.59) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4650471 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4650312 0.81 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4651062 0.79 ALDH1A1 (0.47) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL4697515 0.79 HCAR2 (0.58) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT
SCHEMBL111479 0.78 KMT2A (0.70) ALDH1A1SMN1; SMN2LMNAKDM4EMAPT

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
EP-1966181-A2 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS Wyeth (US) 2008-09-10 EP claimed
WO-2008051244-A2 ANTHRANILIC ACID DERIVATIVES USEFUL IN TREATING INFECTION WITH HEPATITIS C VIRUS WYETH (US) 2008-05-02 WO claimed