SCHEMBL8964882

SCHEMBL8964882

Fc1ccc(-c2cc(F)cc(Br)c2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PGR P06401 2/20 0.43
CHRNB4 P30926 1/20 0.43
CHRNA3 P32297 1/20 0.43
CYP17A1 P05093 3/20 0.40
CYP21A2 P08686 3/20 0.40
CYP11B1 P15538 3/20 0.40
MAPT P10636 1/20 0.38
BCL2L1 Q07817 1/20 0.37
BAD Q92934 1/20 0.37
ASIC3 Q9UHC3 1/20 0.36
GABRP O00591 1/20 0.35
GABRD O14764 1/20 0.35
GABRA1 P14867 1/20 0.35
GABRB1 P18505 1/20 0.35
GABRG2 P18507 1/20 0.35
GABRB3 P28472 1/20 0.35
GABRA5 P31644 1/20 0.35
GABRA3 P34903 1/20 0.35
GABRA2 P47869 1/20 0.35
GABRB2 P47870 1/20 0.35

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
SCHEMBL27978296 0.90 MAPT (0.40) PGRCYP17A1CYP21A2CYP11B1MAPT
SCHEMBL15805936 0.87 CHRNB4 (0.50) PGRCHRNB4CHRNA3CYP17A1CYP21A2
SCHEMBL10042442 0.86 ALDH1A1 (0.52) PGRCHRNB4CHRNA3CYP17A1CYP21A2
SCHEMBL7503144 0.84 ALDH1A1 (0.48) PGRCHRNB4CHRNA3CYP17A1CYP21A2
SCHEMBL19665086 0.82 BCL2L1 (0.44) PGRCYP17A1CYP21A2CYP11B1MAPT
SCHEMBL505073 0.80 CYP17A1 (0.60) CHRNB4CHRNA3CYP17A1CYP21A2CYP11B1
SCHEMBL1987073 0.80 CYP17A1 (0.50) PGRCYP17A1CYP21A2CYP11B1MAPT
SCHEMBL3605667 0.77 AGXT (0.39) CYP17A1CYP21A2CYP11B1MAPTBCL2L1
SCHEMBL12562840 0.76 MAPK1 (0.55) MAPTBCL2L1BADGABRPGABRD
SCHEMBL787631 0.76 MAPK1 (0.55) MAPTBCL2L1BADGABRPGABRD

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-0696271-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1996-02-14 EP disclosed
WO-1994025430-A1 CYCLOOXYGENASE AND 5-LIPOXYGENASE INHIBITING HYDROXAMIC ACID DERIVATIVES THE WELLCOME FOUNDATION LIMITED (GB) 1994-11-10 WO disclosed