SCHEMBL18155571

SCHEMBL18155571

C=CCCC[C@@](CCCC=CC)(NC)C(C)=O

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
ALDH1A1 P00352 2/20 0.38
MAPT P10636 2/20 0.37
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
RECQL P46063 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ABCC4 O15439 1/20 0.34
CNR1 P21554 1/20 0.32
SOAT1 P35610 1/20 0.32

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
SCHEMBL26060542 1.00 LMNA (0.38) LMNAALDH1A1MAPTUSP2CYP3A4
SCHEMBL18773741 0.92 SOAT1 (0.36) SOAT1
SCHEMBL14898382 0.90 ALDH1A1 (0.40) LMNAALDH1A1MAPTUSP2CYP3A4
SCHEMBL25058910 0.83 TSHR (0.43) LMNAALDH1A1MAPTABCC4
Acetic Acid SCHEMBL3194491 0.75 MAPT (0.48) LMNAALDH1A1MAPTUSP2CYP3A4
Acetic Acid SCHEMBL3194485 0.75 MAPT (0.48) LMNAALDH1A1MAPTUSP2CYP3A4
Acetic Acid SCHEMBL28522340 0.73 MAPT (0.57) LMNAALDH1A1MAPTUSP2CYP3A4
Acetic Acid SCHEMBL28514189 0.73 MAPT (0.57) LMNAALDH1A1MAPTUSP2CYP3A4
SCHEMBL24473563 0.73 ACLY (0.35) USP2CYP3A4RECQLSOAT1
SCHEMBL18155569 0.73 ACLY (0.35) USP2CYP3A4RECQLSOAT1

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-2508531-B1 Stitched polypeptides HARVARD COLLEGE (US) 2016-10-19 EP disclosed