SCHEMBL9575978

SCHEMBL9575978

CCC1(CC(O)(CO)c2ccccc2)C(=O)c2ccccc2C1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 6/20 0.38
GAA P10253 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
ELANE P08246 3/20 0.35
ALDH1A1 P00352 5/20 0.34
ALOX12 P18054 2/20 0.34
RECQL P46063 2/20 0.34
L3MBTL1 Q9Y468 2/20 0.34
CA1 P00915 1/20 0.34
CA2 P00918 1/20 0.34
TSHR P16473 1/20 0.34
MAPK1 P28482 1/20 0.34
CASP1 P29466 1/20 0.34
CA7 P43166 1/20 0.34
BACE1 P56817 1/20 0.34
CA9 Q16790 1/20 0.34

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
SCHEMBL9682072 0.87 CYP2D6 (0.35) MAPTGAARAB9ASMN1; SMN2CYP1A2
SCHEMBL9421588 0.85 CYP2C9 (0.42) MAPTGAARAB9ASMN1; SMN2CYP1A2
SCHEMBL9579785 0.74 ALDH1A1 (0.30) MAPTRAB9AALDH1A1NPSR1
SCHEMBL7967035 0.73 ALDH1A1 (0.48) MAPTGAARAB9ASMN1; SMN2ELANE
SCHEMBL13946505 0.69 CYP2C19 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6481609 0.69 CYP2C19 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL6481604 0.69 CYP2C19 (0.50) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL7943831 0.69 CYP2C19 (0.58) SMN1; SMN2CYP1A2CYP2C9CYP2C19ALDH1A1
SCHEMBL9010137 0.67 ELANE (0.42) MAPTGAARAB9ASMN1; SMN2ELANE
SCHEMBL11331380 0.67 CYP2C19 (0.47) GAARAB9ASMN1; SMN2CYP1A2CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0398258-B1 INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1993-08-04 EP disclosed
US-5110342-A INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1992-05-05 US disclosed
US-5076830-A INDAN-1,3-DIONE DERIVATIVE AND HERBICIDAL COMPOSITION CONTAINING THE SAME AS ACTIVE INGREDIENT MITSUBISHI KASEI CORPORATION (JP) 1991-12-31 US disclosed
EP-0398258-A1 Indan-1,3-dione derivative and herbicidal composition containing the same as active ingredient MITSUBISHI KASEI CORPORATION (JP) 1990-11-22 EP disclosed