SCHEMBL7107445

SCHEMBL7107445

CC(C)(C)OC(=O)N1CC(OCc2ccc(Br)cc2)CC1(C)C(=O)O

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 3/20 0.41
EPHX2 P34913 1/20 0.37
CACNA1B Q00975 1/20 0.37
DDB1 Q16531 1/20 0.36
CRBN Q96SW2 1/20 0.36
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
MAOA P21397 1/20 0.35
MAOB P27338 1/20 0.35
USP30 Q70CQ3 1/20 0.34
GPR119 Q8TDV5 2/20 0.34
ABCB1 P08183 1/20 0.34
FPR3 P25089 1/20 0.34
FPR2 P25090 1/20 0.34
KCNK3 O14649 1/20 0.34
KCNK9 Q9NPC2 1/20 0.34
CYP3A4 P08684 2/20 0.33
P2RX7 Q99572 1/20 0.33
CYP2C19 P33261 1/20 0.33
BACE1 P56817 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
SCHEMBL7107448 1.00 RORC (0.41) RORCEPHX2CACNA1BDDB1CRBN
SCHEMBL6770180 1.00 RORC (0.41) RORCEPHX2CACNA1BDDB1CRBN
SCHEMBL23043429 0.90 ABCB1 (0.41) RORCEPHX2USP30GPR119ABCB1
SCHEMBL704571 0.90 ABCB1 (0.41) RORCEPHX2USP30GPR119ABCB1
SCHEMBL27223224 0.90 ABCB1 (0.41) RORCEPHX2USP30GPR119ABCB1
SCHEMBL2426349 0.85 NAAA (0.38) RORCCARM1PRMT6MAOAMAOB
SCHEMBL27380345 0.81 ABCB1 (0.43) ABCB1ALDH1A1
SCHEMBL27380338 0.81 ABCB1 (0.43) ABCB1ALDH1A1
SCHEMBL1073918 0.80 RORC (0.42) RORCGPR119FPR3FPR2P2RX7
SCHEMBL3305393 0.79 CHRM3 (0.35) DDB1CRBNUSP30ABCB1BACE1

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-1339718-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS Bristol-Myers Squibb Company (US) 2003-09-03 EP disclosed
WO-2002044181-A1 HYDANTOIN COMPOUNDS USEFUL AS ANTI-INFLAMMATORY AGENTS BRISTOL-MYERS SQUIBB COMPANY (US) 2002-06-06 WO disclosed