SCHEMBL11728016

SCHEMBL11728016

Fc1ccccc1-c1ccc(Br)cc1F

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPRC P08575 2/20 0.47
GABRA1 P14867 2/20 0.46
GABRA5 P31644 2/20 0.46
GABRA3 P34903 2/20 0.46
GABRA2 P47869 2/20 0.46
GABRB2 P47870 2/20 0.46
GABRP O00591 1/20 0.46
GABRD O14764 1/20 0.46
GABRB1 P18505 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA4 P48169 1/20 0.46
GABRE P78334 1/20 0.46
GABRA6 Q16445 1/20 0.46
GABRG1 Q8N1C3 1/20 0.46
GABRG3 Q99928 1/20 0.46
GABRQ Q9UN88 1/20 0.46
SMN1; SMN2 Q16637 4/20 0.44
HPGD P15428 2/20 0.44
NMUR2 Q9GZQ4 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
SCHEMBL31310573 0.88 DGAT1 (0.46) PTPRCSMN1; SMN2HPGDNMUR2NPC1
SCHEMBL14520998 0.88 DGAT1 (0.46) PTPRCSMN1; SMN2HPGDNMUR2NPC1
SCHEMBL29290422 0.84 GABRA1 (0.42) PTPRCGABRA1GABRA5GABRA3GABRA2
SCHEMBL28833526 0.84 GPR35 (0.45) PTPRCGABRA1GABRA5GABRA3GABRA2
SCHEMBL6587338 0.84 GABRA1 (0.42) PTPRCGABRA1GABRA5GABRA3GABRA2
SCHEMBL1357074 0.84 HPGD (0.47) PTPRCSMN1; SMN2HPGDNMUR2MEN1
SCHEMBL30949638 0.84 GPR35 (0.45) PTPRCGABRA1GABRA5GABRA3GABRA2
SCHEMBL29279869 0.84 PTPRC (0.46) PTPRCGABRA1GABRA5GABRA3GABRA2
SCHEMBL28399793 0.82 MAPK1 (0.41) PTPRCGABRA1GABRA5GABRA3GABRA2
SCHEMBL30838813 0.82 ALDH1A1 (0.48) PTPRCGABRA1GABRA5GABRA3GABRA2

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-4053639-A 2-(2,2' OR 2,2'-FLUORO OR DIFLUORO-4-BIPHENYLYL)PROPAN-1-OL; ANTIINFLAMMATORY, ANALGESIC, ANTIPYRETIC THE BOOTS COMPANY LIMITED (EN) 1977-10-11 US disclosed