SCHEMBL9802756

SCHEMBL9802756

O=C1CCCc2oc(=O)cc(C(F)(F)F)c21

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIM1 P11309 1/20 0.49
PIM3 Q86V86 1/20 0.49
ALDH1A1 P00352 4/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
MEN1 O00255 4/20 0.40
KMT2A Q03164 4/20 0.40
USP2 O75604 2/20 0.40
HTT P42858 1/20 0.40
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
GPR35 Q9HC97 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
AR P10275 5/20 0.39
MCL1 Q07820 1/20 0.38
CASP1 P29466 3/20 0.37
CASP7 P55210 3/20 0.37
CYP1A2 P05177 3/20 0.37
CRHBP P24387 1/20 0.37
CYP2C19 P33261 1/20 0.37
CRHR2 Q13324 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
SCHEMBL17844923 0.81 MEN1 (0.46) ALDH1A1SMN1; SMN2MEN1KMT2AUSP2
SCHEMBL9803021 0.74 ALDH1A1 (0.53) PIM1PIM3ALDH1A1SMN1; SMN2HTT
SCHEMBL9802626 0.71 ALDH1A1 (0.46) PIM1PIM3ALDH1A1SMN1; SMN2KMT2A
SCHEMBL23537851 0.67 AR (0.40) ALDH1A1MEN1KMT2AARCASP1
SCHEMBL19212449 0.66 PIM1 (1.00) PIM1PIM3ALDH1A1SMN1; SMN2USP2
SCHEMBL9802708 0.66 AR (0.40) PIM1PIM3ALDH1A1HTTAR
SCHEMBL24109425 0.66 DHODH (0.40) PIM1PIM3
SCHEMBL25249392 0.65 KDM4E (0.34) PIM1PIM3ALDH1A1KMT2AHTT
SCHEMBL525412 0.64 PIM1 (0.38) PIM1PIM3SMN1; SMN2MEN1KMT2A
SCHEMBL23537407 0.63 ALDH1A1 (0.44) PIM1PIM3ALDH1A1SMN1; SMN2KMT2A

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
US-5068334-A Analgesics and antipyretics KARL THOMAE GMBH (DE) 1991-11-26 US disclosed
EP-0338228-A2 Use of quinoline-2,5-diones in a medicament having an analgesic, antipyretic and/or antiphlogistic activity Dr. Karl Thomae GmbH (DE) 1989-10-25 EP disclosed