SCHEMBL9416784

SCHEMBL9416784

CCOC(=O)C1(C(=O)N(C)c2ccc(Br)cc2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.38
MEN1 O00255 1/20 0.38
S1PR4 O95977 1/20 0.38
S1PR1 P21453 1/20 0.38
MAPK1 P28482 1/20 0.38
KMT2A Q03164 1/20 0.38
NPSR1 Q6W5P4 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HTT P42858 1/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
OPRM1 P35372 4/20 0.36
OPRD1 P41143 3/20 0.36
FPR2 P25090 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
SLC22A1 O15245 2/20 0.35
PROKR1 Q8TCW9 2/20 0.35
OPRK1 P41145 2/20 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
SCHEMBL9416717 0.86 MEN1 (0.48) LMNAMAPTMEN1MAPK1KMT2A
SCHEMBL22452882 0.84 MEN1 (0.39) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL28107009 0.75 MEN1 (0.41) LMNAMAPTMEN1S1PR4S1PR1
SCHEMBL10626087 0.73 FPR2 (0.50) LMNAMAPTMEN1KMT2ANPSR1
SCHEMBL25423720 0.72 ALDH1A1 (0.47) LMNAMAPTMEN1S1PR4S1PR1
SCHEMBL28840766 0.71 ALDH1A1 (0.43) LMNAMAPTMEN1S1PR4S1PR1
SCHEMBL9416859 0.71 KMT2A (0.47) LMNAMAPTMEN1MAPK1KMT2A
SCHEMBL13041535 0.70 ALDH1A1 (0.42) LMNAMAPTMEN1S1PR4S1PR1
SCHEMBL1510 0.70 OPRM1 (0.58) OPRM1OPRD1SLC22A1OPRK1SLC6A4
SCHEMBL30936910 0.70 ALDH1A1 (0.37) LMNAMAPTMEN1KMT2AALDH1A1

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
US-5292937-A Use of malonic acid derivative compounds for retarding plant growth RHONE-POULENC INC. (US) 1994-03-08 US disclosed
US-5123951-A Ethylene response inducing agent and malonic acid derivative RHONE-POULENC NEDERLAND B.V. (NL) 1992-06-23 US disclosed