SCHEMBL25029130

SCHEMBL25029130

CC(C)CCCCCCN1CCN(C2CCC(C(=O)C(C)C)CC2)CC1

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ FPR3 P25089 1/20 0.36
▸ FPR2 P25090 1/20 0.36
▸ SMN1; SMN2 Q16637 2/20 0.35
▸ TP53 P04637 1/20 0.35
▸ BCHE P06276 3/20 0.34
▸ PAOX Q6QHF9 1/20 0.34
▸ SIGMAR1 Q99720 1/20 0.34
▸ OPRL1 P41146 1/20 0.33
▸ TSHR P16473 1/20 0.33
▸ KDM4E B2RXH2 1/20 0.33
▸ ALDH1A1 P00352 1/20 0.33
▸ ALOX15 P16050 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
SCHEMBL25030230 1.00 FPR3 (0.36) FPR3FPR2SMN1; SMN2TP53BCHE
SCHEMBL26059633 1.00 FPR3 (0.36) FPR3FPR2SMN1; SMN2TP53BCHE
SCHEMBL25029689 0.89 BCHE (0.34) SMN1; SMN2BCHEPAOXSIGMAR1TSHR
SCHEMBL25029686 0.88 KCNH2 (0.43) BCHE
SCHEMBL26202904 0.84 SIGMAR1 (0.34) SIGMAR1
SCHEMBL25029687 0.82 NPC1 (0.40) TSHRKDM4EALDH1A1
SCHEMBL25028805 0.78 SMN1; SMN2 (0.42) SMN1; SMN2OPRL1KDM4EALDH1A1
SCHEMBL25631007 0.77 OPRL1 (0.38) TP53SIGMAR1OPRL1KDM4EALDH1A1
SCHEMBL26059631 0.76 SIGMAR1 (0.33) SIGMAR1
SCHEMBL25631008 0.76 HRH3 (0.40) TP53TSHRKDM4EALDH1A1

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-2023017484-A1 CYTOTOXICITY TARGETING CHIMERAS GLAXOSMITHKLINE INTELLECTUAL PROPERTY DEVELOPMENT LIMITED (GB) 2023-02-16 — — WO disclosed
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