SCHEMBL24801634

SCHEMBL24801634

COC(=O)C1(C(F)(F)F)CC=CO1

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
NPC1 O15118 1/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
RAB9A P51151 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
L3MBTL1 Q9Y468 1/20 0.31

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
SCHEMBL3519679 0.74 MEN1 (0.40) MEN1KMT2AL3MBTL1
SCHEMBL6448270 0.74 NPC1 (0.33) MEN1KMT2ANPC1CYP1A2CYP2C19
SCHEMBL6448268 0.74 NPC1 (0.33) MEN1KMT2ANPC1CYP1A2CYP2C19
SCHEMBL24801633 0.70 NPC1 (0.34) MEN1KMT2ANPC1CYP1A2CYP2C19
SCHEMBL28831364 0.67 MEN1 (0.30) MEN1KMT2A
SCHEMBL15918185 0.66 NPC1 (0.33) NPC1RAB9ASMN1; SMN2
SCHEMBL1553471 0.66
SCHEMBL24802627 0.63 NPC1 (0.31) NPC1CYP1A2CYP2C19RAB9ASMN1; SMN2
SCHEMBL15917967 0.63 NPSR1 (0.34) MEN1KMT2A
SCHEMBL27969550 0.63 POLB (0.33) L3MBTL1

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
WO-2022268563-A1 HERBICIDAL ARYLCYCLOPENTENE CARBOXAMIDES BASF SE (DE) 2022-12-29 WO disclosed
WO-2022268564-A1 HERBICIDAL ARYLDIHYDROFURANE CARBOXYLATES BASF SE (DE) 2022-12-29 WO disclosed