SCHEMBL9416749

SCHEMBL9416749

CCOC(=O)C1(C(=O)Nc2ccc(Br)cc2C)CCC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TEK Q02763 1/20 0.48
MAPT P10636 5/20 0.47
ALDH1A1 P00352 3/20 0.44
GAA P10253 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
HPGD P15428 1/20 0.44
HTT P42858 1/20 0.44
NPY1R P25929 1/20 0.42
NPY2R P49146 1/20 0.42
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 2/20 0.41
KMT2A Q03164 2/20 0.41
L3MBTL1 Q9Y468 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
POLB P06746 1/20 0.40

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
SCHEMBL9416860 0.98 MAPT (0.47) TEKMAPTALDH1A1GAASMN1; SMN2
SCHEMBL10626101 0.95 MAPT (0.49) TEKMAPTALDH1A1GAASMN1; SMN2
SCHEMBL10709310 0.92 MAPT (0.46) TEKMAPTALDH1A1GAASMN1; SMN2
SCHEMBL9416700 0.83 TEK (0.53) TEKMAPTALDH1A1GAAHPGD
SCHEMBL9416868 0.83 MAPT (0.52) TEKMAPTALDH1A1GAAHPGD
SCHEMBL10627105 0.83 MAPK1 (0.46) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL10631144 0.83 MAPT (0.48) MAPTALDH1A1GAASMN1; SMN2NPC1
SCHEMBL10630997 0.82 MAPT (0.45) TEKMAPTALDH1A1GAASMN1; SMN2
SCHEMBL10631449 0.81 NPC1 (0.46) MAPTALDH1A1GAASMN1; SMN2HTT
SCHEMBL26699450 0.80 ALDH1A1 (0.46) MAPTALDH1A1GAASMN1; SMN2HPGD

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 5 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
EP-0262209-A1 SYNERGISTIC PLANT GROWTH REGULATOR COMPOSITIONS. RHONE POULENC BV (NL) 1988-04-06 EP disclosed
US-4736056-A Process for the production of malonic acid derivative compounds UNION CARBIDE AGRICULTURAL PRODUCTS COMPANY, INC., T.W. ALEXANDER DR., RESEARCH TRIANGLE PARK, NC. A CORP. OF PA. 1988-04-05 US disclosed
WO-1987005781-A2 SYNERGISTIC PLANT GROWTH REGULATOR COMPOSITIONS RHONE-POULENC NEDERLANDS B.V. (NL) 1987-10-08 WO disclosed