SCHEMBL10215014

SCHEMBL10215014

CC(C)(C)OC(=O)N1C[C@](O)(c2ccc(F)cc2)C[C@H]1C(N)=O

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
RORC P51449 6/20 0.40
ALDH1A1 P00352 1/20 0.39
CYP1A2 P05177 1/20 0.39
CYP3A4 P08684 1/20 0.39
CYP2C19 P33261 1/20 0.39
POLB P06746 1/20 0.38
GRIN2B Q13224 3/20 0.36
HDAC2 Q92769 3/20 0.35
HDAC1 Q13547 2/20 0.35
F10 P00742 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
HDAC8 Q9BY41 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
SCHEMBL12166384 0.89 RORC (0.41) RORCALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL1830040 0.89 RORC (0.41) RORCALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL12166536 0.88 RORC (0.41) RORC
SCHEMBL12166533 0.82 ELANE (0.38) ALDH1A1CYP1A2CYP3A4CYP2C19
SCHEMBL21430555 0.78 F10 (0.38) RORCALDH1A1F10
SCHEMBL17294854 0.78 RORC (0.42) RORCGRIN2B
SCHEMBL17294853 0.78 RORC (0.42) RORCGRIN2B
SCHEMBL20584659 0.78 RORC (0.42) RORCGRIN2B
SCHEMBL12166405 0.78 RORC (0.42) RORCGRIN2B
SCHEMBL20446551 0.78 RORC (0.42) RORCGRIN2B

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
EP-2086995-B1 HEPATITIS C VIRUS INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2012-02-22 EP disclosed