SCHEMBL20370143

SCHEMBL20370143

CCC(=O)OC(C)C(c1ccccc1)C1CCCC1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 3/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ RAB9A P51151 1/20 0.45
▸ LMNA P02545 4/20 0.44
▸ CYP1A2 P05177 2/20 0.44
▸ CYP2D6 P10635 2/20 0.44
▸ TSHR P16473 2/20 0.44
▸ CHRM2 P08172 1/20 0.44
▸ HTR1A P08908 1/20 0.44
▸ ADRA2A P08913 1/20 0.44
▸ CHRM1 P11229 1/20 0.44
▸ DRD1 P21728 1/20 0.44
▸ SLC6A2 P23975 1/20 0.44
▸ ADRA1A P35348 1/20 0.44
▸ OPRM1 P35372 1/20 0.44
▸ DRD3 P35462 1/20 0.44
▸ SLC6A3 Q01959 1/20 0.44
▸ KCNH2 Q12809 1/20 0.44
▸ CTSK P43235 1/20 0.42

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
SCHEMBL20348321 0.82 TSHR (0.41) CYP3A4HPGDCYP2C19RAB9ALMNA
SCHEMBL20348312 0.82 TSHR (0.41) CYP3A4HPGDCYP2C19RAB9ALMNA
SCHEMBL21976712 0.77 LMNA (0.40) HPGDRAB9ALMNACYP1A2CYP2D6
SCHEMBL25021573 0.77 LMNA (0.42) HPGDRAB9ALMNAMEN1KMT2A
SCHEMBL14667617 0.77 IDO1 (0.44) CYP3A4HPGDCYP2C19RAB9ALMNA
SCHEMBL25021449 0.76 EPHX1 (0.35) CYP3A4LMNACYP1A2CYP2D6TSHR
SCHEMBL21976725 0.76 LMNA (0.41) CYP3A4HPGDRAB9ALMNACYP1A2
SCHEMBL22474334 0.75 GPR88 (0.40) —
SCHEMBL25022787 0.75 EPHX1 (0.38) CYP3A4LMNACYP1A2CYP2D6TSHR
SCHEMBL22041415 0.75 KMT2A (0.45) HPGDLMNATSHRMEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3565410-B1 PICOLINAMIDES AS FUNGICIDES CORTEVA AGRISCIENCE LLC (US) 2023-02-15 — — EP disclosed
WO-2018129237-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-12 — — WO disclosed
WO-2018129238-A1 PICOLINAMIDES AS FUNGICIDES DOW AGROSCIENCES LLC (US) 2018-07-12 — — WO disclosed
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