SCHEMBL3485977

SCHEMBL3485977

C[C@@H]1CC(=O)N(c2ccccc2)C1=O

nearest known ligand 0.62

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
KDM4E B2RXH2 2/20 0.57
LMNA P02545 1/20 0.57
MT-CO2 P00403 6/20 0.55
ALOX5 P09917 6/20 0.55
MAPT P10636 3/20 0.54
GAA P10253 2/20 0.54
GFER P55789 2/20 0.54
TDP1 Q9NUW8 1/20 0.54
SMN1; SMN2 Q16637 1/20 0.54
POLB P06746 2/20 0.50

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
SCHEMBL774049 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMT-CO2ALOX5
SCHEMBL28243691 1.00 ALDH1A1 (0.58) ALDH1A1KDM4ELMNAMT-CO2ALOX5
SCHEMBL16566170 0.90 ALDH1A1 (0.50) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL822035 0.87 ALDH1A1 (0.49) ALDH1A1MAPTGAAGFERSMN1; SMN2
SCHEMBL13057572 0.84 GAA (0.52) ALDH1A1KDM4ELMNAMT-CO2ALOX5
SCHEMBL14821834 0.83 ALDH1A1 (0.61) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL16566172 0.82 ALDH1A1 (0.44) ALDH1A1KDM4ELMNAMAPTGAA
SCHEMBL20375597 0.82 MAPT (0.42) ALDH1A1LMNAMAPTTDP1SMN1; SMN2
SCHEMBL16450893 0.81 HSP90AA1 (0.59) ALDH1A1LMNAMAPTGAASMN1; SMN2
SCHEMBL13057567 0.81 ALDH1A1 (0.51) ALDH1A1MT-CO2ALOX5MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4019595-B1 ANTIFOULING PAINT COMPOSITION NITTO KASEI CO LTD (JP) 2023-10-04 EP disclosed
EP-4039759-A1 ANTIFOULING COATING COMPOSITION Nitto Kasei Co., Ltd. (JP) 2022-08-10 EP disclosed
EP-4019595-A1 ANTIFOULING PAINT COMPOSITION Nitto Kasei Co., Ltd. (JP) 2022-06-29 EP disclosed
US-8313923-B2 Process for enzymatic reduction of alkene derivatives BASF SE (DE) 2012-11-20 US disclosed
US-20100041089-A1 IMPROVED METHOD FOR DETECTING CHEMICAL SUBSTANCES Daikin Industries, Lrd. (JP) 2010-02-18 US disclosed
US-20100035315-A1 Any alpha-beta unsaturated ketone, aldehyde, carboxy or ester, or vinyl-unsaturated nitro compound to corresponding saturated compound; for example, citral to citronellal or 3-methylcyclohexenone to 3-methylcyclohexanone, using biocatalyst; stereospecific and efficient BASF SE (DE) 2010-02-11 US disclosed