SCHEMBL12844110

SCHEMBL12844110

C/C=C(\C)C(=O)CC(=O)C1(C)CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CETP P11597 2/20 0.31
P2RX7 Q99572 1/20 0.30
RIPK1 Q13546 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
SCHEMBL22175253 0.76 ALDH1A1 (0.42) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL27560599 0.75 ALDH1A1 (0.43) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL3495830 0.74 ALDH1A1 (0.41) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL19383627 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL3239419 0.71 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL11376813 0.71 MGAM (0.39) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL10161210 0.70 KDM4E (0.38) ALDH1A1SMN1; SMN2
SCHEMBL23009409 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL12017413 0.69 ALDH1A1 (0.38) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1
SCHEMBL22550126 0.69 ALDH1A1 (0.39) ALDH1A1SMN1; SMN2CETPP2RX7RIPK1

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-2011032875-A1 PHOTO-LATENT TITANIUM CATALYSTS BASF SE (DE) 2011-03-24 WO disclosed