SCHEMBL25181776

SCHEMBL25181776

C=CCCCC(CC)CCCCCCC

nearest known ligand 0.60

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.60
ALDH1A1 P00352 4/20 0.52
LMNA P02545 1/20 0.45
TDP1 Q9NUW8 1/20 0.40
CYP3A4 P08684 1/20 0.39
OPRM1 P35372 1/20 0.38
CA2 P00918 2/20 0.37
PLA2G2C Q5R387 1/20 0.36
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
DNM1 Q05193 1/20 0.34

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
SCHEMBL25171242 1.00 TSHR (0.60) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL1906182 1.00 TSHR (0.60) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL10704417 1.00 TSHR (0.60) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL25178882 0.98 TSHR (0.56) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL25171273 0.96 TSHR (0.67) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL1906318 0.96 TSHR (0.67) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL25172421 0.96 TSHR (0.67) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL2842318 0.96 TSHR (0.67) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL9718888 0.96 TSHR (0.67) TSHRALDH1A1LMNATDP1CYP3A4
SCHEMBL25178111 0.96 TSHR (0.67) TSHRALDH1A1LMNATDP1CYP3A4

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-2023085299-A1 CATIONIC LIPID 武田薬品工業株式会社 2023-05-19 WO disclosed