SCHEMBL9116773

SCHEMBL9116773

CCCCCCCCCCCC(O)N1C=NCC1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GPR84 Q9NQS5 7/20 0.34
SPHK1 Q9NYA1 2/20 0.34
FFAR1 O14842 1/20 0.34
LMNA P02545 2/20 0.33
CYP2D6 P10635 2/20 0.33
GMNN O75496 1/20 0.33
POLB P06746 1/20 0.33
THPO P40225 1/20 0.33
MTOR P42345 1/20 0.33
BLM P54132 1/20 0.33
KDM4E B2RXH2 1/20 0.33
TP53 P04637 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP3A4 P08684 1/20 0.33
MAPT P10636 1/20 0.33
CETP P11597 1/20 0.33
HTT P42858 1/20 0.33
UBE2N P61088 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
SCHEMBL8031471 1.00 GPR84 (0.34) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL8031338 1.00 GPR84 (0.34) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL7264158 1.00 GPR84 (0.34) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL29875773 0.98 GPR84 (0.33) GPR84SPHK1FFAR1LMNACYP2D6
Hydrochloric Acid SCHEMBL2809830 0.98 GPR84 (0.33) GPR84SPHK1FFAR1LMNACYP2D6
SCHEMBL6673297 0.91 FFAR1 (0.38) FFAR1LMNAKDM4ECYP3A4
SCHEMBL5617190 0.91 FFAR1 (0.38) FFAR1LMNAKDM4ECYP3A4
SCHEMBL10491860 0.83 ADA (0.40) KDM4ECYP1A2CYP3A4
SCHEMBL28469856 0.81 GPR84 (0.31) GPR84SPHK1FFAR1LMNA
SCHEMBL10619688 0.81 SMN1; SMN2 (0.33) SPHK1LMNAHTT

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-1995018159-A1 ION EXCHANGE RESINS MONTECH PTY. LTD. (AU) 1995-07-06 WO disclosed