SCHEMBL30454583

SCHEMBL30454583

C#CCCCC(C#N)CCCCCCCCC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.35
USP2 O75604 1/20 0.35
CYP3A4 P08684 1/20 0.35
LMNA P02545 2/20 0.34
RAB9A P51151 1/20 0.33
HTT P42858 1/20 0.33
DNM1 Q05193 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
SCHEMBL11198319 0.85 TSHR (0.56) TSHRLMNADNM1
SCHEMBL366647 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL4745188 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL15211724 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL12844942 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL24044418 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL13601912 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL985792 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL13475536 0.85 TSHR (0.46) TSHRLMNADNM1
SCHEMBL14848213 0.85 TSHR (0.46) TSHRLMNADNM1

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
CN-116171279-A Macrocyclic compounds and uses thereof 荣山医药股份有限公司 2023-05-26 CN claimed
CN-116171279-A Macrocyclic compounds and uses thereof 荣山医药股份有限公司 2023-05-26 CN disclosed