SCHEMBL8980482

SCHEMBL8980482

CC1(C)CC/C(=C/c2ccc(Cl)cc2)C1=O

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.51
AKR1C1 Q04828 1/20 0.51
MAOB P27338 6/20 0.44
PIM1 P11309 1/20 0.44
PIM2 Q9P1W9 1/20 0.44
EGFR P00533 1/20 0.43
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 3/20 0.40
GSK3B P49841 1/20 0.40
MYC P01106 1/20 0.40
NAT1 P18440 1/20 0.40
MAX P61244 1/20 0.40
MAOA P21397 1/20 0.39
ACHE P22303 1/20 0.39
PAX8 Q06710 1/20 0.39
CYP1A2 P05177 1/20 0.38
MAPT P10636 2/20 0.36
NPC1 O15118 1/20 0.36
GAA P10253 1/20 0.36
HTT P42858 1/20 0.36

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
SCHEMBL8852685 1.00 AKR1C3 (0.51) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8145750 1.00 AKR1C3 (0.51) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8883228 0.91 AKR1C3 (0.44) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8152345 0.90 AKR1C3 (0.57) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8883029 0.90 AKR1C3 (0.57) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8852378 0.90 AKR1C3 (0.57) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8159881 0.89 AKR1C3 (0.55) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8852393 0.89 AKR1C3 (0.55) AKR1C3AKR1C1MAOBPIM1PIM2
SCHEMBL8852791 0.83 HSD11B1 (0.56) MAOBPIM1PIM2EGFRALDH1A1
SCHEMBL8154776 0.83 HSD11B1 (0.56) MAOBPIM1PIM2EGFRALDH1A1

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-119263969-A DMBCP crude product crystallization method and application thereof 顺毅南通化工有限公司 2025-01-07 CN claimed
CN-119263969-A DMBCP crude product crystallization method and application thereof 顺毅南通化工有限公司 2025-01-07 CN disclosed
CN-119263969-A DMBCP crude product crystallization method and application thereof 顺毅南通化工有限公司 2025-01-07 CN disclosed
CN-119263969-A DMBCP crude product crystallization method and application thereof 顺毅南通化工有限公司 2025-01-07 CN disclosed
EP-0712836-A1 Alkyl 3-benzylidene-1-alkyl-2-oxocyclopentanecarboxylate derivates as fungicides KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-22 EP disclosed
US-5519160-A FUNGICIDES KUREHA CHEMICAL INDUSTRY CO., LTD. (JP) 1996-05-21 US disclosed