SCHEMBL11348492

SCHEMBL11348492

C=CCCCC=CC(C)CC

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP3A4 P08684 2/20 0.38
USP2 O75604 1/20 0.38
LMNA P02545 1/20 0.38
MAPT P10636 1/20 0.38
RECQL P46063 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
PTGS1 P23219 1/20 0.35
PPARG P37231 1/20 0.35
OPRK1 P41145 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
TRPA1 O75762 1/20 0.30

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
SCHEMBL2780650 0.96 TSHR (0.44) TSHRALDH1A1CYP3A4USP2LMNA
SCHEMBL15189747 0.87 TSHR (0.42) TSHRALDH1A1CYP3A4USP2LMNA
SCHEMBL16339406 0.85 TSHR (0.46) TSHRALDH1A1CYP3A4USP2LMNA
SCHEMBL16339407 0.85 TSHR (0.46) TSHRALDH1A1CYP3A4USP2LMNA
SCHEMBL5375196 0.81 TSHR (0.48) TSHRALDH1A1CYP3A4USP2LMNA
SCHEMBL9580133 0.80 ASAH2 (0.30)
SCHEMBL2118190 0.80 MEN1 (0.33) CYP3A4PTGS1PPARGOPRK1ABCG2
SCHEMBL2118193 0.80 MEN1 (0.33) CYP3A4PTGS1PPARGOPRK1ABCG2
SCHEMBL5138549 0.80 PTGS1 (0.33) TSHRCYP3A4USP2LMNAMAPT
SCHEMBL2003208 0.79 MEN1 (0.39) TSHRALDH1A1CYP3A4LMNAMAPT

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3424993-B1 RESIN ADDITIVE COMPOSITION, THERMOPLASTIC RESIN COMPOSITION, AND MOLDED ARTICLE THEREOF ADEKA CORP (JP) 2024-05-01 EP claimed
JP-56052864-A None JP disclosed
JP-S5652864-A ALKALINE BATTERY TOSHIBA BATTERY CO LTD 1981-05-12 JP disclosed