SCHEMBL9002482

SCHEMBL9002482

COC(=O)CCCCCCCCCCC(N)=O

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.67
LMNA P02545 3/20 0.57
ALDH1A1 P00352 1/20 0.57
KMT2A Q03164 3/20 0.47
KDM4E B2RXH2 1/20 0.46
RECQL P46063 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 2/20 0.43
FAAH O00519 1/20 0.43
TP53 P04637 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP3A4 P08684 1/20 0.43
CYP2C19 P33261 1/20 0.43
SOAT1 P35610 1/20 0.43
EPHX2 P34913 2/20 0.43
POLB P06746 1/20 0.42
POLA1 P09884 1/20 0.42
HPGD P15428 1/20 0.42
CA12 O43570 1/20 0.41
CA14 Q9ULX7 1/20 0.41

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
SCHEMBL7771033 1.00 TSHR (0.67) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL6565769 1.00 TSHR (0.67) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL27056171 1.00 TSHR (0.67) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL11309058 1.00 TSHR (0.67) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL6714473 1.00 TSHR (0.67) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL25970344 1.00 TSHR (0.67) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL1808263 0.97 TSHR (0.70) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL1327137 0.92 TSHR (0.79) TSHRLMNAALDH1A1KMT2AKDM4E
Hydrochloric Acid SCHEMBL27899274 0.90 TSHR (0.75) TSHRLMNAALDH1A1KMT2AKDM4E
SCHEMBL3502791 0.89 TSHR (0.82) TSHRLMNAALDH1A1KMT2AKDM4E

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
WO-2023011597-A1 LIGAND CONJUGATES FOR DELIVERY OF THERAPEUTICALLY ACTIVE AGENTS Hepagene Therapeutics (HK) Limited (CN) 2023-02-09 WO disclosed
US-5498733-A Synthesis of nylon-11 monomer HOWARD UNIVERSITY (US) 1996-03-12 US disclosed