SCHEMBL9682072

SCHEMBL9682072

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

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.35
MAPT P10636 4/20 0.34
ELANE P08246 3/20 0.34
CYP1A2 P05177 1/20 0.34
CYP2C9 P11712 1/20 0.34
CYP2C19 P33261 1/20 0.34
GAA P10253 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
ALDH1A1 P00352 5/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
MAPK1 P28482 1/20 0.33
CASP1 P29466 1/20 0.33
CA7 P43166 1/20 0.33
RECQL P46063 1/20 0.33
BACE1 P56817 1/20 0.33
CA9 Q16790 1/20 0.33

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
SCHEMBL9575978 0.87 MAPT (0.38) CYP2D6MAPTELANECYP1A2CYP2C9
SCHEMBL9579785 0.73 ALDH1A1 (0.30) MAPTRAB9AALDH1A1NPSR1
SCHEMBL9421588 0.72 CYP2C9 (0.42) CYP2D6MAPTELANECYP1A2CYP2C9
SCHEMBL7967035 0.72 ALDH1A1 (0.48) CYP2D6MAPTELANEGAARAB9A
SCHEMBL9010137 0.66 ELANE (0.42) CYP2D6MAPTELANEGAARAB9A
SCHEMBL9576014 0.64 MAPT (0.45) CYP2D6MAPTELANECYP1A2CYP2C9
SCHEMBL27404939 0.63 CYP2C19 (0.44) CYP2D6CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL9194705 0.63 CYP2C19 (0.52) CYP1A2CYP2C9CYP2C19GAASMN1; SMN2
SCHEMBL4307361 0.62 CYP2C19 (0.56) CYP2D6CYP1A2CYP2C9CYP2C19SMN1; SMN2
SCHEMBL11766113 0.62 CYP2C19 (0.42) CYP2D6MAPTCYP1A2CYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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