SCHEMBL9713436

SCHEMBL9713436

CCC(=O)OC[C](C)CCCOC

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
NAAA Q02083 1/20 0.41
ALDH1A1 P00352 5/20 0.38
TSHR P16473 2/20 0.35
PAM P19021 2/20 0.34
DGKA P23743 1/20 0.33
HTT P42858 1/20 0.32
DNM1 Q05193 1/20 0.32
CYP1A2 P05177 1/20 0.31
HPGD P15428 1/20 0.31
CYP2C19 P33261 1/20 0.31
BLM P54132 1/20 0.31
WRN Q14191 1/20 0.31
HIF1A Q16665 1/20 0.31
GAA P10253 1/20 0.30

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
SCHEMBL9713525 0.81 NAAA (0.50) NAAAALDH1A1TSHRDGKAHTT
SCHEMBL17453519 0.76 NAAA (0.68) NAAAALDH1A1TSHRDGKAHTT
SCHEMBL448874 0.76 NAAA (0.61) NAAAALDH1A1TSHRDGKAHTT
SCHEMBL9843731 0.75 ALDH1A1 (0.39) ALDH1A1TSHRGAA
SCHEMBL12706940 0.74 ALDH1A1 (0.48) NAAAALDH1A1TSHRDGKADNM1
SCHEMBL3913363 0.73
SCHEMBL181426 0.71
SCHEMBL14163783 0.70 NAAA (0.59) NAAAALDH1A1DGKAHTTDNM1
SCHEMBL2607005 0.70 CYP1A2 (0.59) ALDH1A1TSHRDGKACYP1A2GAA
Ethyl Propionate SCHEMBL21768151 0.69 NAAA (0.64) NAAAALDH1A1TSHRDGKADNM1

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