SCHEMBL11858112

SCHEMBL11858112

CCOC(C)(C)CCCC(C)CC=CC(C)=CC(C)=O

nearest known ligand 0.59

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.59
▸ LMNA P02545 1/20 0.59
▸ CYP3A4 P08684 1/20 0.59
▸ TDP1 Q9NUW8 1/20 0.59

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
SCHEMBL11858105 1.00 ALDH1A1 (0.59) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11853930 0.91 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11853922 0.91 ALDH1A1 (0.58) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11859033 0.90 ALDH1A1 (0.57) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11859026 0.90 ALDH1A1 (0.57) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11858660 0.90 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11858666 0.90 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11867179 0.89 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11878064 0.89 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11805174 0.89 ALDH1A1 (0.62) ALDH1A1LMNACYP3A4TDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-3940444-A Novel keto-ethers ZOECON CORPORATION (US) 1976-02-24 — — US claimed
US-3940444-A Novel keto-ethers ZOECON CORPORATION (US) 1976-02-24 — — US disclosed
Send feedback