SCHEMBL31294445

SCHEMBL31294445

CCCCCCCCCCCCCCCCCC(C#N)CCC

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.42
LMNA P02545 1/20 0.41
DNM1 Q05193 2/20 0.40
THRB P10828 1/20 0.40
OPRM1 P35372 1/20 0.39
GPR84 Q9NQS5 3/20 0.37
FDPS P14324 3/20 0.37
SPHK1 Q9NYA1 1/20 0.37
FFAR1 O14842 1/20 0.37
MAPT P10636 1/20 0.35
LCK P06239 1/20 0.35
PPARD Q03181 1/20 0.35
ZDHHC20 Q5W0Z9 1/20 0.35
ZDHHC2 Q9UIJ5 1/20 0.35

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
SCHEMBL11153202 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL10167940 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL14534536 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL16760715 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL3451185 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL29062998 1.00 TSHR (0.42) TSHRLMNADNM1THRBOPRM1
SCHEMBL30879536 0.97 TSHR (0.43) TSHRLMNADNM1THRBOPRM1
SCHEMBL20530377 0.97 TSHR (0.43) TSHRLMNADNM1THRBOPRM1
SCHEMBL2182376 0.97 TSHR (0.43) TSHRLMNADNM1THRBOPRM1
Hydrochloric Acid SCHEMBL30889331 0.95 TSHR (0.42) TSHRLMNADNM1THRBOPRM1

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4709731-A1 3CLPRO INHIBITORS AND METHODS THEREOF Agency for Science, Technology and Research (SG) 2026-03-18 EP disclosed
WO-2024232829-A1 3CLPRO INHIBITORS AND METHODS THEREOF AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2024-11-14 WO disclosed