SCHEMBL21029448

SCHEMBL21029448

CC1CCCC[C@@H]1Sc1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 3/20 0.38
MEN1 O00255 2/20 0.38
F2 P00734 2/20 0.37
PRSS1 P07477 2/20 0.37
GRM6 O15303 2/20 0.36
GRM2 Q14416 2/20 0.36
GRM3 Q14832 2/20 0.36
DDB1 Q16531 1/20 0.35
CRBN Q96SW2 1/20 0.35
CARM1 Q86X55 1/20 0.35
PRMT6 Q96LA8 1/20 0.35
ALDH1A1 P00352 2/20 0.33
NPC1 O15118 2/20 0.33
RAB9A P51151 2/20 0.33
HPGD P15428 2/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
MGLL Q99685 1/20 0.32
HSD17B10 Q99714 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL15271676 1.00 KMT2A (0.38) KMT2AMEN1F2PRSS1GRM6
SCHEMBL14076176 0.96 F2 (0.40) KMT2AMEN1F2PRSS1GRM6
SCHEMBL15270930 0.82 CRBN (0.40) DDB1CRBNALDH1A1NPC1RAB9A
SCHEMBL15270669 0.80 DDB1 (0.44) KMT2ADDB1CRBNALDH1A1NPC1
SCHEMBL15270850 0.77 F2 (0.35) KMT2AMEN1F2PRSS1GRM6
SCHEMBL2943271 0.76 GRM6 (0.39) KMT2AMEN1F2PRSS1GRM6
SCHEMBL9847802 0.76 TSHR (0.50) F2PRSS1GRM6GRM2GRM3
SCHEMBL1541019 0.76 GRM6 (0.39) KMT2AMEN1F2PRSS1GRM6
SCHEMBL1540258 0.76 F2 (0.40) KMT2AMEN1F2PRSS1GRM6
SCHEMBL2943267 0.76 GRM6 (0.39) KMT2AMEN1F2PRSS1GRM6

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-2254601-B1 OLIGOMER-CANNABINOID CONJUGATES NEKTAR THERAPEUTICS (US) 2019-05-29 EP disclosed