SCHEMBL25128745

SCHEMBL25128745

CN[C@H](CCCCNC(=O)CCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOC)C(=O)C(C)C

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 1/20 0.43
▸ GLP1R P43220 8/20 0.37
▸ KDM4E B2RXH2 2/20 0.35
▸ LMNA P02545 1/20 0.35
▸ HPGD P15428 4/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ KMT2A Q03164 1/20 0.34
▸ EPHX2 P34913 2/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ FOLH1 Q04609 2/20 0.33
▸ HTT P42858 1/20 0.33
▸ SMN1; SMN2 Q16637 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
SCHEMBL27312937 0.89 TSHR (0.42) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL25128699 0.89 TSHR (0.42) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL21233810 0.87 GLP1R (0.45) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL16327450 0.87 GLP1R (0.45) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL25128374 0.86 GLP1R (0.43) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL25129007 0.86 GLP1R (0.43) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL27312248 0.86 GLP1R (0.43) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL25128368 0.86 GLP1R (0.43) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL27312935 0.86 GLP1R (0.43) TSHRGLP1RKDM4ELMNAHPGD
SCHEMBL25128698 0.85 TSHR (0.43) TSHRGLP1RKDM4ELMNAHPGD

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-2023040793-A1 ANTI-INFLAMMATORY COMPOUND AND USE THEREOF 映恩生物制药(苏州)有限公司 2023-03-23 — — WO disclosed
Send feedback