SCHEMBL9004040

SCHEMBL9004040

COC1CCS(=O)(=O)c2ccc(C(=O)C3C(=O)CCCC3=O)c(C)c21

nearest known ligand 0.41

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.32
MAPK1 P28482 1/20 0.31
USP2 O75604 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
POLB P06746 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
SCHEMBL9004017 0.88 ALDH1A1 (0.33) HPDALDH1A1
SCHEMBL9004044 0.88 HPD (0.30) HPD
SCHEMBL9004009 0.86 HPD (0.31) HPDALDH1A1
SCHEMBL9004041 0.85
SCHEMBL8308293 0.82 RYR2 (0.33) ALDH1A1LMNA
SCHEMBL9004024 0.81 SPR (0.41) USP2ALDH1A1LMNAPOLB
SCHEMBL6773319 0.77 HPD (0.36) HPD
SCHEMBL8304037 0.75
SCHEMBL9003989 0.74
SCHEMBL6773095 0.73 SPR (0.33) HPDPOLB

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-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US claimed
US-5480858-A HERBICIDES; LOW DOSAGE; CORN, BARLEY, WHEAT IDEMITSU KOSAN CO., LTD. (JP) 1996-01-02 US disclosed