SCHEMBL24422872

SCHEMBL24422872

CCCCC(C)CCCC(C)=N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACE2 Q9BYF1 1/20 0.41
PTPN1 P18031 3/20 0.38
MAPT P10636 1/20 0.37
LMNA P02545 1/20 0.35
ALDH1A1 P00352 1/20 0.34
SPHK2 Q9NRA0 1/20 0.34
SPHK1 Q9NYA1 1/20 0.34
DNM1 Q05193 2/20 0.33
FDPS P14324 1/20 0.33
TSHR P16473 1/20 0.33
PRKD3 O94806 1/20 0.33
PRKCG P05129 1/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCI P41743 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCZ Q05513 1/20 0.33
PRKCD Q05655 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
SCHEMBL27386125 0.91 TSHR (0.44) ACE2PTPN1MAPTLMNASPHK2
SCHEMBL19466238 0.86 ACE2 (0.52) ACE2LMNAALDH1A1SPHK2SPHK1
SCHEMBL21779188 0.84 NFKB1 (0.47) ALDH1A1SPHK2SPHK1DNM1FDPS
SCHEMBL20228810 0.83 PTPN1 (0.35) PTPN1LMNATSHR
SCHEMBL28154748 0.83 ACE2 (0.42) ACE2PTPN1MAPTLMNAALDH1A1
SCHEMBL19301770 0.81 LMNA (0.59) PTPN1LMNA
SCHEMBL18514502 0.81 ACE2 (0.36) ACE2ALDH1A1SPHK2SPHK1DNM1
SCHEMBL1781778 0.79 ACE2 (0.48) ACE2PTPN1MAPTALDH1A1CA2
SCHEMBL11638149 0.79
SCHEMBL56652 0.79 LMNA (0.50) ACE2MAPTLMNAALDH1A1DNM1

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
WO-2022099144-A1 ΡΡΑRγ MODULATORS AND METHODS OF USE Eisai R&D Mangement Co., Ltd. (JP) 2022-05-12 WO disclosed