SCHEMBL8384754

SCHEMBL8384754

Cc1ccc(C(=O)O)c(C(=O)O)c1CBr

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAAO P46952 1/20 0.38
ALDH1A1 P00352 3/20 0.38
CYP1A2 P05177 1/20 0.37
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
NOTUM Q6P988 2/20 0.35
MCL1 Q07820 1/20 0.35
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
KMT2A Q03164 1/20 0.35
GABRP O00591 1/20 0.34
GABRD O14764 1/20 0.34
GABRA1 P14867 1/20 0.34
GABRB1 P18505 1/20 0.34
GABRG2 P18507 1/20 0.34
GABRB3 P28472 1/20 0.34
GABRA5 P31644 1/20 0.34
GABRA3 P34903 1/20 0.34
GABRA2 P47869 1/20 0.34

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
SCHEMBL4868173 0.86 L3MBTL1 (0.38) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL28122101 0.85 HAAO (0.38) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL2258690 0.85 HAAO (0.40) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL18280372 0.83 HAAO (0.39) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL3000590 0.83 GABRP (0.40) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL1963804 0.80 TSHR (0.40) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL23703865 0.79 HAAO (0.39) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL8072439 0.79 RARB (0.36) HAAOALDH1A1CYP1A2KDM4EHPGD
SCHEMBL7649724 0.79 GABRP (0.46) ALDH1A1CYP1A2KDM4EHPGDHSD17B10
SCHEMBL11870875 0.79 PTGS1 (0.39) HAAOALDH1A1CYP2C9AKR1C3

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-5939437-A AMIDE COMPOUNDS AS NEUROPEPTIDES AS APPETITE REGULATORS, ANXIOLYTIC ACTIVITY AND ANTICARCINOGENIC AGENTS JAMES BLACK FOUNDATION LIMITED (GB) 1999-08-17 US disclosed
WO-1995030647-A1 CCK AND GASTRIN RECEPTOR LIGANDS JAMES BLACK FOUNDATION LIMITED (GB) 1995-11-16 WO disclosed