SCHEMBL25815979

SCHEMBL25815979

CCCC(=O)OCC1(C)C(C)=C(C)C(C)=C1C

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.40
TSHR P16473 1/20 0.34
DGKA P23743 1/20 0.33
CYP1A2 P05177 1/20 0.33
PRKCA P17252 7/20 0.33
BCL9 O00512 1/20 0.33
CTNNB1 P35222 1/20 0.33
MAPT P10636 1/20 0.32
NLRP3 Q96P20 1/20 0.32
CYP4F2 P78329 1/20 0.32
CYP4A11 Q02928 1/20 0.32
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31

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
SCHEMBL20569206 0.90 ADRA2A (0.34) TSHRCYP1A2MAPTCYP4F2CYP4A11
SCHEMBL25814226 0.85 ALDH1A1 (0.36) ALDH1A1TSHRCYP1A2MGAMGAA
SCHEMBL26309959 0.84 CYP1A2 (0.40) TSHRCYP1A2
SCHEMBL20569208 0.84 CYP2C19 (0.37) ALDH1A1TSHR
SCHEMBL22184135 0.81 CYP1A2 (0.31) CYP1A2
SCHEMBL22184148 0.79 TSHR (0.32) TSHR
SCHEMBL22184147 0.77
SCHEMBL26293409 0.76 TSHR (0.33) TSHR
SCHEMBL22184150 0.75 MGAM (0.33) MGAMGAASIMGAM2
SCHEMBL22184086 0.74 PSMB8 (0.31) TSHR

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
EP-3630732-B1 METHOD AND MOLECULES MEDIMMUNE LLC (US) 2023-07-12 EP disclosed