SCHEMBL7987639

SCHEMBL7987639

CCc1cc(C#Cc2ccc(CBr)c(C)c2)ccc1C(=O)O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HNF4A P41235 1/20 0.37
FFAR1 O14842 8/20 0.36
FFAR4 Q5NUL3 4/20 0.36
GABRP O00591 2/20 0.34
GABRD O14764 2/20 0.34
GABRA1 P14867 2/20 0.34
GABRB1 P18505 2/20 0.34
GABRG2 P18507 2/20 0.34
GABRB3 P28472 2/20 0.34
GABRA5 P31644 2/20 0.34
GABRA3 P34903 2/20 0.34
GABRA2 P47869 2/20 0.34
GABRB2 P47870 2/20 0.34
GABRA4 P48169 2/20 0.34
GABRE P78334 2/20 0.34
GABRA6 Q16445 2/20 0.34
GABRG1 Q8N1C3 2/20 0.34
GABRG3 Q99928 2/20 0.34
GABRQ Q9UN88 2/20 0.34
ACACB O00763 1/20 0.33

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
SCHEMBL7984235 0.87 HNF4A (0.38) HNF4AFFAR1FFAR4GABRPGABRD
SCHEMBL10412862 0.79 GABRP (0.41) HNF4AFFAR1GABRPGABRDGABRA1
SCHEMBL7970475 0.77 SLC6A2 (0.37) HNF4AFFAR1FFAR4
SCHEMBL7984143 0.76 TBXAS1 (0.50)
SCHEMBL5738127 0.74 CA12 (0.46) ACACB
SCHEMBL7982072 0.74 RARB (0.36) ACACBRARBRARARARG
SCHEMBL394617 0.72 XDH (0.46) GABRPGABRDGABRA1GABRB1GABRG2
SCHEMBL6132151 0.72 GABRP (0.41) HNF4AFFAR1GABRPGABRDGABRA1
SCHEMBL6135979 0.72 EPHX2 (0.51)
SCHEMBL31084678 0.71 XDH (0.45) FFAR1KDM4C

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-6303785-B1 SUBSTITUTED N-CYCLOPROPYLTETRAHYDROISOQUINOLINES ALLERGAN SALES, INC. 2001-10-16 US disclosed