SCHEMBL13746501

SCHEMBL13746501

CC(C)(C)OC(=O)N1[C@@H]2CC2C[C@H]1C(=O)OC(CC(F)(F)F)C(=O)c1ccc(Br)cc1

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 2/20 0.31
▸ FPR2 P25090 2/20 0.31
▸ ESRRB O95718 1/20 0.31
▸ ESR1 P03372 1/20 0.31
▸ ESRRA P11474 1/20 0.31
▸ ESRRG P62508 1/20 0.31
▸ RORC P51449 2/20 0.31
▸ KCNK3 O14649 1/20 0.30
▸ KCNK9 Q9NPC2 1/20 0.30

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
SCHEMBL10182415 1.00 FPR3 (0.31) FPR3FPR2ESRRBESR1ESRRA
SCHEMBL10182263 0.80 NPC1 (0.46) FPR3FPR2
SCHEMBL19488759 0.79 NPC1 (0.43) FPR3FPR2
SCHEMBL10182417 0.78 KMT2A (0.41) —
SCHEMBL12752017 0.78 KMT2A (0.41) —
SCHEMBL15586735 0.78 KMT2A (0.41) —
SCHEMBL15773712 0.78 KMT2A (0.41) —
SCHEMBL19488754 0.73 FPR2 (0.38) FPR3FPR2
SCHEMBL10202447 0.73 FPR2 (0.38) FPR3FPR2
SCHEMBL1294187 0.72 ALDH1A1 (0.34) —

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
WO-2009102633-A1 HEPATITIS C VIRUS INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2009-08-20 — — WO disclosed
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