SCHEMBL9004009

SCHEMBL9004009

CCCOC1CCS(=O)(=O)c2ccc(C(=O)C3C(=O)CCCC3=O)c(C)c21

nearest known ligand 0.38

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
HPD P32754 1/20 0.31
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
MAPT P10636 1/20 0.30
CYP2C9 P11712 1/20 0.30
CYP2C19 P33261 1/20 0.30

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 0.92 ALDH1A1 (0.33) HPDALDH1A1CYP1A2MAPTCYP2C9
SCHEMBL9004040 0.86 HPD (0.32) HPDALDH1A1
SCHEMBL8303167 0.84 TAAR1 (0.32) ALDH1A1
SCHEMBL9004044 0.83 HPD (0.30) HPD
SCHEMBL9003989 0.79
SCHEMBL8941046 0.77
SCHEMBL8082261 0.75 ALDH1A1 (0.33) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL9004078 0.74 SPR (0.40) ALDH1A1CYP1A2MAPTCYP2C9CYP2C19
SCHEMBL8400386 0.74
SCHEMBL8403800 0.74

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