SCHEMBL2920447

SCHEMBL2920447

COCCCN1CCOc2ccc(CO[C@@H]3CN(S(=O)(=O)c4ccc(C)cc4)[C@@H](C[C@@H](C)O)C[C@@H]3c3ccc(OC)cc3)cc21

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RORC P51449 7/20 0.36
KMT2A Q03164 1/20 0.35
FKBP1A P62942 1/20 0.35
CYP2C9 P11712 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 4/20 0.34
ALDH1A1 P00352 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
USP2 O75604 1/20 0.34
GAA P10253 1/20 0.34
TSHR P16473 1/20 0.34
NPSR1 Q6W5P4 1/20 0.34
PKM P14618 1/20 0.34
MAPT P10636 1/20 0.34
MMP2 P08253 2/20 0.33
MMP1 P03956 1/20 0.33
MMP3 P08254 1/20 0.33
MMP7 P09237 1/20 0.33
MMP9 P14780 1/20 0.33
MMP8 P22894 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
SCHEMBL2919072 1.00 RORC (0.36) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2924064 1.00 RORC (0.36) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2944665 1.00 RORC (0.36) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2920634 1.00 RORC (0.36) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2919684 1.00 RORC (0.36) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2919069 1.00 RORC (0.36) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2919399 0.96 KMT2A (0.34) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL2924448 0.96 KMT2A (0.34) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL5510078 0.96 KMT2A (0.34) RORCKMT2AFKBP1ACYP2C9NPC1
SCHEMBL5508424 0.96 KMT2A (0.34) RORCKMT2AFKBP1ACYP2C9NPC1

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-1863803-B1 SUBSTITUTED PIPERIDINES NOVARTIS AG (CH) 2010-09-01 EP disclosed