SCHEMBL9712801

SCHEMBL9712801

CCC(CC)CCOCc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.52
TDP1 Q9NUW8 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
CYP2C19 P33261 1/20 0.41
NAAA Q02083 1/20 0.41
CA1 P00915 4/20 0.41
CA2 P00918 2/20 0.41
CA7 P43166 2/20 0.41
CA9 Q16790 2/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
TACR1 P25103 2/20 0.40
ALDH1A1 P00352 1/20 0.40
LTA4H P09960 1/20 0.39
IDO1 P14902 1/20 0.39

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
SCHEMBL19574958 0.90 TSHR (0.45) TSHRTDP1L3MBTL1CYP2C19NAAA
SCHEMBL4439576 0.85 MMP12 (0.45) TSHRCYP2C19HTTSMN1; SMN2ALDH1A1
SCHEMBL4439569 0.85 MMP12 (0.45) TSHRCYP2C19HTTSMN1; SMN2ALDH1A1
SCHEMBL11769415 0.81 CA1 (0.50) TSHRTDP1L3MBTL1CYP2C19NAAA
SCHEMBL4443937 0.81 CA1 (0.50) TSHRTDP1L3MBTL1CYP2C19CA1
SCHEMBL4443943 0.81 CA1 (0.50) TSHRTDP1L3MBTL1CYP2C19CA1
SCHEMBL3742621 0.81 TSHR (0.52) TSHRCYP2C19NAAACA1CA2
SCHEMBL16572207 0.81 TSHR (0.52) TSHRTDP1L3MBTL1CYP2C19NAAA
SCHEMBL27440241 0.80 TRPA1 (0.47) TSHRTDP1L3MBTL1CYP2C19NAAA
SCHEMBL14763820 0.80 TSHR (0.56) TSHRTDP1L3MBTL1CYP2C19NAAA

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