SCHEMBL9712914

SCHEMBL9712914

CCc1cccc(CC)c1C(=O)I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GABRA1 P14867 4/20 0.52
GABRB2 P47870 4/20 0.52
CACNA1C Q13936 2/20 0.40
SCN5A Q14524 2/20 0.40
CLCN2 P51788 1/20 0.38
DAO P14920 1/20 0.38
POLB P06746 2/20 0.38
ALDH1A1 P00352 1/20 0.38
CA12 O43570 1/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA9 Q16790 1/20 0.38
CA14 Q9ULX7 1/20 0.38
ITGB1 P05556 1/20 0.37
ITGA4 P13612 1/20 0.37
BID P55957 3/20 0.37
MCL1 Q07820 3/20 0.37
BCL2L1 Q07817 2/20 0.37
BAK1 Q16611 2/20 0.37

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
SCHEMBL11750664 0.80 GABRA1 (0.56) GABRA1GABRB2CLCN2ALDH1A1CA12
SCHEMBL423306 0.78 GABRA1 (0.54) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL649683 0.78 GABRA1 (0.54) GABRA1GABRB2CLCN2ALDH1A1CA12
SCHEMBL16414537 0.78 GABRA1 (0.54) GABRA1GABRB2CLCN2CA12CA1
SCHEMBL9712566 0.76 GABRA1 (0.52) GABRA1GABRB2CLCN2ALDH1A1CA12
SCHEMBL580709 0.76 GABRA1 (0.52) GABRA1GABRB2CACNA1CSCN5ACLCN2
SCHEMBL18378584 0.75 GABRA1 (0.56) GABRA1GABRB2CLCN2DAOCA12
Nitrogen SCHEMBL10979876 0.74 GABRA1 (0.50) GABRA1GABRB2CLCN2CA12CA1
Hydrochloric Acid SCHEMBL5013100 0.74 GABRA1 (0.50) GABRA1GABRB2CACNA1CSCN5ACLCN2
SCHEMBL4504893 0.74 ALDH1A1 (0.48) GABRA1GABRB2ALDH1A1ITGB1ITGA4

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 8 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
EP-0049071-B1 N-ARYLBENZAMIDE DERIVATIVES ELI LILLY AND COMPANY (US) 1984-12-19 EP disclosed
US-4416683-A HERBICIDES ELI LILLY AND COMPANY (US) 1983-11-22 US disclosed
EP-0049071-A1 N-arylbenzamide derivatives ELI LILLY AND COMPANY (US) 1982-04-07 EP disclosed