SCHEMBL9045709

SCHEMBL9045709

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

nearest known ligand 0.49

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
S1PR5 Q9H228 11/20 0.49
S1PR1 P21453 6/20 0.48
ALDH1A1 P00352 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.43
MAPT P10636 1/20 0.42
KMT2A Q03164 1/20 0.42
CACNA1G O43497 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CYP3A4 P08684 1/20 0.41
GAA P10253 1/20 0.41
CYP2D6 P10635 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 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
SCHEMBL9044742 0.93 S1PR5 (0.46) S1PR5S1PR1
SCHEMBL9045718 0.88 ALDH1A1 (0.58) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL6765931 0.85 ALDH1A1 (0.49) S1PR5S1PR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9044507 0.84 S1PR5 (0.46) S1PR5S1PR1
SCHEMBL9045960 0.84 ALDH1A1 (0.48) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL6766824 0.83 ALDH1A1 (0.48) S1PR5S1PR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL6765402 0.82 ALDH1A1 (0.47) S1PR5S1PR1ALDH1A1SMN1; SMN2MAPT
SCHEMBL9213271 0.79 ALDH1A1 (0.57) ALDH1A1SMN1; SMN2MAPTKMT2ANPSR1
SCHEMBL7657169 0.77 S1PR5 (0.51) S1PR5S1PR1ALDH1A1MAPTKMT2A
SCHEMBL6765236 0.77 S1PR5 (0.46) S1PR5S1PR1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0706527-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AG (DE) 1996-04-17 EP disclosed
WO-1995001358-A1 SUBSTITUTED SPIROHETEROCYCLIC 1H-3-ARYLPYRROLIDINE-2,4-DIONE DERIVATIVES, METHODS OF PREPARING THEM AND THEIR USE AS PEST-CONTROL AGENTS BAYER AKTIENGESELLSCHAFT (DE) 1995-01-12 WO disclosed