SCHEMBL24372296

SCHEMBL24372296

CCCCCCCC(=O)Oc1ccc(CCCCC)c(CCCCC)c1

nearest known ligand 0.53

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.53
HTR1B P28222 1/20 0.53
KMT2A Q03164 4/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
CNR2 P34972 4/20 0.51
MEN1 O00255 2/20 0.50
ALDH1A1 P00352 2/20 0.50
NPC1 O15118 1/20 0.49
RAB9A P51151 1/20 0.49
TSHR P16473 1/20 0.49
CA2 P00918 3/20 0.48
MAPK1 P28482 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.46
PRSS1 P07477 1/20 0.46
ACR P10323 1/20 0.46

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
SCHEMBL18641778 0.95 HTR1A (0.49) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL26239732 0.95 HTR1A (0.49) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL26239747 0.95 HTR1A (0.49) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL3954838 0.89 CNR2 (0.64) KMT2ACNR2MEN1TSHRTDP1
SCHEMBL18665156 0.86 HTR1A (0.48) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL7755680 0.86 KMT2A (0.54) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL7754630 0.86 KMT2A (0.54) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL7751114 0.86 KMT2A (0.54) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL7751086 0.86 KMT2A (0.54) HTR1AHTR1BKMT2ASMN1; SMN2CNR2
SCHEMBL7751126 0.86 CNR2 (0.61) KMT2ACNR2MEN1TSHRTDP1

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-3718565-B1 RESPIRATORY VIRUS VACCINES MODERNATX INC (US) 2022-04-27 EP disclosed