SCHEMBL28003265

SCHEMBL28003265

CCC(Cl)C(O)(Cn1cncn1)c1ccc(Oc2ccc(Cl)cc2)cc1C(F)(F)F

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 14/20 0.42
ALDH1A1 P00352 1/20 0.42
KMT2A Q03164 1/20 0.41
CYP2C9 P11712 11/20 0.40
CYP2C19 P33261 11/20 0.40
CYP1A2 P05177 6/20 0.40
CYP2D6 P10635 6/20 0.40
KCNH2 Q12809 2/20 0.40
LMNA P02545 2/20 0.38
CYP2B6 P20813 1/20 0.38
CYP3A5 P20815 1/20 0.38
CYP3A7 P24462 1/20 0.38
MAPK1 P28482 1/20 0.38
CYP3A43 Q9HB55 1/20 0.38
CYP46A1 Q9Y6A2 1/20 0.38
HSP90AA1 P07900 2/20 0.38
CYP19A1 P11511 1/20 0.38
CYP11B1 P15538 1/20 0.38
CYP11B2 P19099 1/20 0.38
ADRA1A P35348 1/20 0.38

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
SCHEMBL15822678 0.89 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL29430293 0.89 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL15823085 0.89 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL14645415 0.89 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL29359755 0.89 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL29427680 0.85 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL19615889 0.85 CYP3A4 (0.43) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL29367659 0.84 CYP3A4 (0.45) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL15822013 0.84 CYP3A4 (0.45) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19
SCHEMBL17289535 0.84 CYP3A4 (0.45) CYP3A4ALDH1A1KMT2ACYP2C9CYP2C19

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105072915-A Synergistic compositions comprising a bacillus subtilis strain and a biopesticide BASF SE 2015-11-18 CN claimed
CN-104812242-A Pesticidal mixtures comprising jasmonic acid or derivatives thereof BASF SE 2015-07-29 CN claimed
CN-107846875-B Agricultural formulations comprising hydroxybutyl vinyl ether containing copolymers as associative thickeners 巴斯夫欧洲公司 2021-11-16 CN disclosed
CN-105307497-A Fungicidal mixtures i comprising strobilurin-type fungicides BASF SE 2016-02-03 CN disclosed
CN-105072915-A Synergistic compositions comprising a bacillus subtilis strain and a biopesticide BASF SE 2015-11-18 CN disclosed
CN-104812242-A Pesticidal mixtures comprising jasmonic acid or derivatives thereof BASF SE 2015-07-29 CN disclosed