SCHEMBL11763568

SCHEMBL11763568

COC(=O)/C=C(C)/C=C/CC(C)CCC(C)C(C)C

nearest known ligand 0.51

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 1/20 0.51
▸ LMNA P02545 1/20 0.51
▸ CYP3A4 P08684 1/20 0.51
▸ TDP1 Q9NUW8 1/20 0.51
▸ KEAP1 Q14145 1/20 0.31
▸ NFE2L2 Q16236 1/20 0.31
▸ HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL11763572 1.00 ALDH1A1 (0.51) ALDH1A1LMNACYP3A4TDP1KEAP1
SCHEMBL11764186 0.92 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11764192 0.92 ALDH1A1 (0.55) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11763747 0.89 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11763751 0.89 ALDH1A1 (0.49) ALDH1A1LMNACYP3A4TDP1
SCHEMBL11764559 0.88 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4TDP1KEAP1
SCHEMBL11764563 0.88 ALDH1A1 (0.53) ALDH1A1LMNACYP3A4TDP1KEAP1
SCHEMBL11763095 0.87 ALDH1A1 (0.63) ALDH1A1LMNACYP3A4TDP1HCAR2
SCHEMBL11763089 0.87 ALDH1A1 (0.63) ALDH1A1LMNACYP3A4TDP1HCAR2
SCHEMBL11814726 0.83 ALDH1A1 (0.42) 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 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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