SCHEMBL9712876

SCHEMBL9712876

CCc1cc(NC(=O)c2cc(OC)cc(OC)c2)on1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 4/20 0.49
MAPT P10636 3/20 0.49
KMT2A Q03164 2/20 0.47
MEN1 O00255 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
CYP1A1 P04798 1/20 0.47
CYP1A2 P05177 1/20 0.47
CYP1B1 Q16678 1/20 0.47
ALDH1A1 P00352 2/20 0.46
NPC1 O15118 2/20 0.45
TP53 P04637 1/20 0.45
PKM P14618 1/20 0.45
RAB9A P51151 1/20 0.45
ATM Q13315 1/20 0.45
ALPL P05186 1/20 0.45
KDM4E B2RXH2 2/20 0.44
GAA P10253 1/20 0.44
HPGD P15428 1/20 0.44
MAPK1 P28482 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL9713121 0.78 ALDH1A1 (0.56) SMN1; SMN2MAPTKMT2AMEN1RXFP1
SCHEMBL9712883 0.76 CYP1A2 (0.57) SMN1; SMN2MAPTCYP1A2ALDH1A1NPC1
SCHEMBL25288005 0.76 ALDH1A1 (0.47) SMN1; SMN2MAPTKMT2AMEN1CYP1A2
SCHEMBL11919143 0.75 ALDH1A1 (0.45) SMN1; SMN2MAPTKMT2AMEN1RXFP1
SCHEMBL10806751 0.75 CA2 (0.44) SMN1; SMN2MAPTCYP1A2ALDH1A1NPC1
SCHEMBL11777850 0.73 ALDH1A1 (0.41) SMN1; SMN2MAPTCYP1A2ALDH1A1NPC1
SCHEMBL7799270 0.68 KDM4E (0.69) SMN1; SMN2MAPTKMT2AMEN1ALDH1A1
SCHEMBL5036685 0.67 CA1 (0.66) SMN1; SMN2MAPTKMT2AMEN1CYP1A1
SCHEMBL9712816 0.67 CYP1A2 (0.55) SMN1; SMN2MAPTCYP1A2ALDH1A1NPC1
SCHEMBL9637773 0.67 KDM4E (0.63) SMN1; SMN2MAPTKMT2AMEN1CYP1A1

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
US-5086184-A Herbicides DOWELANCO (US) 1992-02-04 US disclosed
US-4943634-A HERBICIDES ELI LILLY AND COMPANY (US) 1990-07-24 US disclosed
US-4801718-A HERBICIDES ELI LILLY AND COMPANY (US) 1989-01-31 US disclosed
US-4636243-A HERBICIDES ISOXAZOLES ELI LILLY AND COMPANY (US) 1987-01-13 US disclosed
US-4515625-A HERBICIDES ELI LILLY AND COMPANY (US) 1985-05-07 US disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed