SCHEMBL7657169

SCHEMBL7657169

O=C(O)CCN1CCC(C(=O)O)(C(=O)Cc2c(F)cccc2Cl)CC1

nearest known ligand 0.51

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 15/20 0.51
S1PR1 P21453 7/20 0.50
MAPT P10636 1/20 0.47
KMT2A Q03164 1/20 0.47
KDM4E B2RXH2 2/20 0.45
ALDH1A1 P00352 1/20 0.44
S1PR3 Q99500 2/20 0.43
CACNA1G O43497 1/20 0.41

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
SCHEMBL6765931 0.82 ALDH1A1 (0.49) S1PR5S1PR1MAPTKMT2AKDM4E
SCHEMBL9045709 0.77 S1PR5 (0.49) S1PR5S1PR1MAPTKMT2AALDH1A1
SCHEMBL6765402 0.77 ALDH1A1 (0.47) S1PR5S1PR1MAPTKMT2AKDM4E
SCHEMBL6766824 0.77 ALDH1A1 (0.48) S1PR5S1PR1MAPTKMT2AALDH1A1
SCHEMBL6765236 0.73 S1PR5 (0.46) S1PR5S1PR1KMT2AS1PR3
SCHEMBL6765932 0.71 S1PR5 (0.43) S1PR5S1PR1S1PR3
SCHEMBL1285811 0.70 AKR1B1 (0.74) MAPTKMT2AKDM4EALDH1A1
SCHEMBL29570152 0.70 AKR1B1 (0.74) MAPTKMT2AKDM4EALDH1A1
SCHEMBL9044742 0.68 S1PR5 (0.46) S1PR5S1PR1S1PR3
SCHEMBL6762509 0.68 S1PR5 (0.44) S1PR5S1PR1KMT2AALDH1A1S1PR3

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-6479489-B1 AN ARTHROPODICIDAL OR NEMATICIDAL COMPOSITION BAYER AKTIENGESELLSCHAFT (DE) 2002-11-12 US disclosed