SCHEMBL11449595

SCHEMBL11449595

COC(=O)CCCCCC[C@@H]1[C@H](C=O)CC[C@@H]1OC(C)=O

nearest known ligand 0.41

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.37
LMNA P02545 1/20 0.37
TBXA2R P21731 1/20 0.35
PTGER4 P35408 1/20 0.35
EPHX2 P34913 1/20 0.35
TSHR P16473 1/20 0.35
PTGER2 P43116 3/20 0.35
PDE4D Q08499 6/20 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
SCHEMBL11449596 1.00 ALDH1A1 (0.37) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL9976703 1.00 ALDH1A1 (0.37) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL862426 1.00 ALDH1A1 (0.37) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL11534514 1.00 ALDH1A1 (0.37) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL11764241 0.81 PDE4D (0.48) ALDH1A1TBXA2RPTGER4EPHX2PTGER2
SCHEMBL11453346 0.81 LMNA (0.40) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL12087950 0.81 LMNA (0.41) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL11584533 0.81 LMNA (0.41) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL18965599 0.81 LMNA (0.41) ALDH1A1LMNATBXA2RPTGER4EPHX2
SCHEMBL11536982 0.81 TSHR (0.36) ALDH1A1LMNATBXA2RPTGER4EPHX2

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
US-4235930-A INDUCTION OF MENSTRUATION OR ABORTION SCHERING, A.G. (DE) 1980-11-25 US disclosed