SCHEMBL28482190

SCHEMBL28482190

C=CCC(=O)Cc1ccccc1Cl

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CTBP2 P56545 1/20 0.47
▸ PKM P14618 1/20 0.46
▸ NPC1 O15118 1/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ HPGD P15428 2/20 0.42
▸ CYP1A2 P05177 1/20 0.42
▸ KCNJ5 P48544 2/20 0.42
▸ KCNJ3 P48549 2/20 0.42
▸ ALDH1A1 P00352 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SHBG P04278 1/20 0.41
▸ APAF1 O14727 1/20 0.41
▸ TDP2 O95551 1/20 0.41
▸ NSD2 O96028 1/20 0.41
▸ MAPT P10636 1/20 0.41
▸ KDM4C Q9H3R0 1/20 0.41
▸ SAE1 Q9UBE0 1/20 0.41
▸ UBA2 Q9UBT2 1/20 0.41
▸ ERCC1 P07992 1/20 0.40
▸ ERCC4 Q92889 1/20 0.40

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
SCHEMBL31365969 0.82 CTBP2 (0.58) CTBP2PKMNPC1RAB9AKCNJ5
SCHEMBL6194349 0.82 CTBP2 (0.58) CTBP2PKMNPC1RAB9AKCNJ5
SCHEMBL6922195 0.80 AKR1B1 (0.57) IDO1
SCHEMBL2252410 0.77 CTBP2 (0.53) CTBP2PKMNPC1RAB9AKCNJ5
SCHEMBL12731515 0.76 CTBP2 (0.51) CTBP2PKMNPC1RAB9AKCNJ5
SCHEMBL7150897 0.76 CTBP2 (0.51) CTBP2PKMNPC1RAB9AKCNJ5
SCHEMBL17686537 0.75 CTBP2 (0.55) CTBP2PKMNPC1RAB9AKCNJ5
SCHEMBL878244 0.75 CYP3A4 (0.49) CTBP2PKMNPC1RAB9AHPGD
SCHEMBL21851699 0.74 CTBP2 (0.54) CTBP2PKMNPC1RAB9AALDH1A1
SCHEMBL8209138 0.74 CTBP2 (0.54) CTBP2PKMNPC1RAB9AKCNJ5

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
CN-112010813-B Synthesis method and application of prothioconazole 安徽久易农业股份有限公司 2022-04-22 — — CN disclosed
CN-112010813-A Synthesis method and application of prothioconazole 安徽久易农业股份有限公司 2020-12-01 — — CN disclosed
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