SCHEMBL9824280

SCHEMBL9824280

CCC1(C)CC(=O)N(C(C)c2ccccc2)C1=O

nearest known ligand 0.44

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGDR2 Q9Y5Y4 1/20 0.44
ALDH1A1 P00352 4/20 0.41
HPGD P15428 2/20 0.41
KDM4E B2RXH2 1/20 0.40
TSHR P16473 1/20 0.40
MAPT P10636 1/20 0.39
CYP2D6 P10635 1/20 0.39
NPSR1 Q6W5P4 1/20 0.38
NR3C2 P08235 3/20 0.37
KMT2A Q03164 1/20 0.37
USP1 O94782 1/20 0.36
ELANE P08246 1/20 0.36
POLB P06746 1/20 0.35

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
SCHEMBL11925168 0.77 TSHR (0.38) ALDH1A1HPGDKDM4ETSHRNPSR1
SCHEMBL40439 0.70 ALDH1A1 (0.53) ALDH1A1HPGDMAPTCYP2D6KMT2A
SCHEMBL9824381 0.70 ELANE (0.57) PTGDR2NPSR1KMT2AELANE
SCHEMBL9824285 0.68 KMT2A (0.50) PTGDR2ALDH1A1TSHRMAPTNPSR1
SCHEMBL9390740 0.67 ALDH1A1 (0.50) ALDH1A1HPGDMAPTCYP2D6KMT2A
SCHEMBL28560386 0.67 NR3C2 (0.46) ALDH1A1HPGDMAPTCYP2D6NR3C2
SCHEMBL9824153 0.67 LMNA (0.51) ALDH1A1KDM4ETSHRMAPTKMT2A
SCHEMBL31306898 0.67 ALDH1A1 (0.51) ALDH1A1KDM4ETSHRMAPTNPSR1
SCHEMBL10306123 0.66 KMT2A (0.47) ALDH1A1HPGDMAPTCYP2D6KMT2A
SCHEMBL9419046 0.66 MAPT (0.49) ALDH1A1HPGDMAPTCYP2D6KMT2A

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-0199963-B1 ETHOSUXIMIDE ASSAY TRACERS, IMMUNOGENS AND ANTIBODIES ABBOTT LABORATORIES (US) 1991-10-23 EP disclosed
EP-0199963-A1 Ethosuximide assay tracers, immunogens and antibodies ABBOTT LABORATORIES (US) 1986-11-05 EP disclosed