SCHEMBL11766014

SCHEMBL11766014

CCC(CC)CCCC(CC)CC=CC(C)=CC(=O)OC

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ TDP1 Q9NUW8 2/20 0.42
▸ ALDH1A1 P00352 1/20 0.42
▸ LMNA P02545 1/20 0.42
▸ CYP3A4 P08684 1/20 0.42
▸ HCAR2 Q8TDS4 2/20 0.34
▸ KEAP1 Q14145 1/20 0.34
▸ NFE2L2 Q16236 1/20 0.34
▸ TSHR P16473 1/20 0.34

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
SCHEMBL11766007 1.00 TDP1 (0.42) TDP1ALDH1A1LMNACYP3A4HCAR2
SCHEMBL11765328 0.92 ALDH1A1 (0.47) TDP1ALDH1A1LMNACYP3A4HCAR2
SCHEMBL11765325 0.92 ALDH1A1 (0.47) TDP1ALDH1A1LMNACYP3A4HCAR2
SCHEMBL11762172 0.90 TDP1 (0.54) TDP1ALDH1A1LMNACYP3A4HCAR2
SCHEMBL11762177 0.90 TDP1 (0.54) TDP1ALDH1A1LMNACYP3A4HCAR2
SCHEMBL11866010 0.87 TDP1 (0.43) TDP1ALDH1A1LMNACYP3A4TSHR
SCHEMBL11866019 0.87 TDP1 (0.43) TDP1ALDH1A1LMNACYP3A4TSHR
SCHEMBL11867348 0.86 TDP1 (0.42) TDP1ALDH1A1LMNACYP3A4
SCHEMBL11868912 0.86 TDP1 (0.45) TDP1ALDH1A1LMNACYP3A4
SCHEMBL11867352 0.86 TDP1 (0.42) TDP1ALDH1A1LMNACYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4021461-A INSECTICIDES ZOECON CORPORATION (US) 1977-05-03 — — US disclosed
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