SCHEMBL10900941

SCHEMBL10900941

CC(=O)OC1=C(c2ccc(C)cc2C)C(=O)C2CCCCC12

nearest known ligand 0.35

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 4/20 0.35
▸ HPGD P15428 1/20 0.35
▸ TSHR P16473 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ GAA P10253 1/20 0.32
▸ MAPT P10636 1/20 0.32
▸ CNR1 P21554 1/20 0.32
▸ MAOB P27338 2/20 0.32
▸ EPHX2 P34913 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.32
▸ ALDH1A1 P00352 1/20 0.32
▸ ALPL P05186 1/20 0.32

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
SCHEMBL10945067 0.82 LMNA (0.40) LMNAHPGDKMT2AMAPT
SCHEMBL10732134 0.80 SLC6A3 (0.35) LMNAHPGDTSHRGAAMAPT
SCHEMBL11128277 0.80 SLC6A3 (0.35) LMNAHPGDTSHRGAAMAPT
SCHEMBL12402036 0.75 NQO1 (0.32) KMT2AGAAMAPTKDM4EALDH1A1
SCHEMBL10897552 0.72 KMT2A (0.47) HPGDKMT2AGAAKDM4EALDH1A1
SCHEMBL10899899 0.72 KMT2A (0.38) LMNAKMT2AGAAMAPTMAOB
SCHEMBL10199736 0.66 PDE4A (0.32) HPGDKMT2AALDH1A1
SCHEMBL10199912 0.66 PPOX (0.31) LMNAHPGDALDH1A1
SCHEMBL9883933 0.65 KMT2A (0.34) KMT2AGAAKDM4EALDH1A1
SCHEMBL13295035 0.65 ACACB (0.45) LMNAGAAMAPTALPL

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-4632698-A MITICIDES; HERBICIDES UNION CARBIDE CORPORATION (US) 1986-12-30 — — US disclosed
US-4551547-A HERBICIDES UNION CARBIDE CORPORATION (US) 1985-11-05 — — US disclosed
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