SCHEMBL27923643

SCHEMBL27923643

COc1cccc(N2CCN(CC(=O)NC(COCc3ccccc3)C(=O)Nc3ccc(Oc4ccccc4)cc3)CC2)c1

nearest known ligand 0.58

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
GFER P55789 2/20 0.58
S1PR1 P21453 6/20 0.57
MAPT P10636 5/20 0.57
LMNA P02545 5/20 0.57
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
HTT P42858 2/20 0.54
ALDH1A1 P00352 2/20 0.54
SMN1; SMN2 Q16637 3/20 0.53
USP2 O75604 1/20 0.53
TSHR P16473 1/20 0.53
POLB P06746 1/20 0.53
NPC1 O15118 1/20 0.53
RAB9A P51151 1/20 0.53
DRD4 P21917 1/20 0.52
GAA P10253 1/20 0.48
CTSL P07711 1/20 0.48
CTSS P25774 1/20 0.48
CTSK P43235 1/20 0.48

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
SCHEMBL27923642 1.00 GFER (0.58) GFERS1PR1MAPTLMNAMEN1
SCHEMBL1371962 0.96 S1PR1 (0.56) GFERS1PR1MAPTLMNAMEN1
SCHEMBL1371965 0.96 S1PR1 (0.56) GFERS1PR1MAPTLMNAMEN1
SCHEMBL1373143 0.90 MEN1 (0.61) GFERS1PR1MAPTLMNAMEN1
SCHEMBL1373140 0.90 MEN1 (0.61) GFERS1PR1MAPTLMNAMEN1
SCHEMBL1372466 0.89 S1PR1 (0.60) S1PR1MAPTLMNAMEN1KMT2A
SCHEMBL1372470 0.89 S1PR1 (0.60) S1PR1MAPTLMNAMEN1KMT2A
SCHEMBL1373826 0.87 S1PR1 (0.60) S1PR1MAPTLMNAMEN1KMT2A
SCHEMBL1373823 0.87 S1PR1 (0.60) S1PR1MAPTLMNAMEN1KMT2A
SCHEMBL1371771 0.85 S1PR1 (0.56) S1PR1MAPTLMNAMEN1KMT2A

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
CN-102245174-B Synergistic effects between sphingosine-1-phosphate receptor antagonists and antimicrotubule agents EXELIXIS INC 2013-11-06 CN disclosed