SCHEMBL12467413

SCHEMBL12467413

CCNC1(C(=O)OC)CC1

nearest known ligand 0.38

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 1/20 0.38
MAPT P10636 1/20 0.36
CYP4F2 P78329 1/20 0.35
CYP4A11 Q02928 1/20 0.35
ALDH1A1 P00352 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
LMNA P02545 1/20 0.33
MGAM O43451 1/20 0.32
GAA P10253 1/20 0.32
SI P14410 1/20 0.32
MGAM2 Q2M2H8 1/20 0.32
EPHX1 P07099 1/20 0.31
CHRM1 P11229 1/20 0.30

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
SCHEMBL23374704 0.91 MAPT (0.41) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL5524661 0.90 MAPT (0.47) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
Hydrochloric Acid SCHEMBL5524658 0.88 MAPT (0.46) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL27643339 0.86 KDM4E (0.43) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL28023901 0.83 NPSR1 (0.35) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL1508731 0.83 MGAM (0.44) MAPTALDH1A1LMNAMGAMGAA
SCHEMBL10296008 0.80 MAPT (0.35) MAPTALDH1A1L3MBTL1LMNAGAA
SCHEMBL9781676 0.78 NPSR1 (0.35) NPSR1MAPTCYP4F2CYP4A11ALDH1A1
SCHEMBL27833409 0.78 KMT2A (0.31) MGAMGAASIMGAM2
SCHEMBL9781658 0.77 CYP4F2 (0.36) NPSR1MAPTCYP4F2CYP4A11ALDH1A1

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-2021093817-A1 IMMUNOMODULATORY COMPOUNDS, COMPOSITION AND APPLICATION THEREOF 杭州和正医药有限公司 2021-05-20 WO disclosed