SCHEMBL10729030

SCHEMBL10729030

C=CCC(=O)C(O)(Cc1ccc(Cl)cc1Cl)c1cccnc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ CYP19A1 P11511 6/20 0.42
▸ MEN1 O00255 1/20 0.39
▸ MAPT P10636 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HDAC8 Q9BY41 1/20 0.39
▸ CYP3A4 P08684 6/20 0.39
▸ CYP3A5 P20815 6/20 0.39
▸ KCNA5 P22460 1/20 0.39
▸ GALR3 O60755 1/20 0.38
▸ NR2F2 P24468 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ PKM P14618 1/20 0.38
▸ GGPS1 O95749 1/20 0.37

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
SCHEMBL10727684 0.85 CYP19A1 (0.44) CYP19A1MEN1MAPTKMT2AHDAC8
Ethylene SCHEMBL10729027 0.83 CYP19A1 (0.44) CYP19A1MEN1MAPTKMT2AHDAC8
SCHEMBL10730155 0.83 CYP19A1 (0.40) CYP19A1MEN1MAPTKMT2AHDAC8
SCHEMBL10731747 0.83 CYP19A1 (0.46) CYP19A1MEN1MAPTKMT2AHDAC8
SCHEMBL10731194 0.81 CYP19A1 (0.44) CYP19A1MEN1MAPTKMT2AHDAC8
Cyclopropane SCHEMBL10727636 0.80 CYP19A1 (0.43) CYP19A1MEN1MAPTKMT2AHDAC8
SCHEMBL10734446 0.78 CYP19A1 (0.47) CYP19A1MEN1MAPTKMT2AHDAC8
SCHEMBL10733999 0.77 CYP19A1 (0.49) CYP19A1MEN1MAPTKMT2AHDAC8
SCHEMBL10732644 0.76 CYP19A1 (0.44) CYP19A1CYP3A4CYP3A5KCNA5
SCHEMBL10730708 0.76 CYP19A1 (0.40) CYP19A1MEN1KMT2ACYP3A4CYP3A5

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4699652-A Fungicidal pyridine derivatives for use in agriculture HOFFMANN-LA ROCHE INC. (US) 1987-10-13 — — US disclosed
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