SCHEMBL5330943

SCHEMBL5330943

N#Cc1ccccc1C1(c2ccccc2)CCCCC1.O=C(O)C1CCCCC1

nearest known ligand 0.39

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.39
AKR1C1 Q04828 1/20 0.38
KMT2A Q03164 2/20 0.37
HDAC4 P56524 2/20 0.37
HSD17B10 Q99714 1/20 0.36
ELANE P08246 2/20 0.36
MEN1 O00255 1/20 0.35
HPGD P15428 1/20 0.35
CHRM3 P20309 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PDE4A P27815 1/20 0.34
PDE4B Q07343 1/20 0.34
PDE4C Q08493 1/20 0.34
PDE4D Q08499 1/20 0.34
SLC6A1 P30531 1/20 0.34
ADORA2A P29274 2/20 0.34
ADORA1 P30542 2/20 0.34
PGR P06401 1/20 0.33

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
SCHEMBL30877933 0.82 AKR1C1 (0.46) AKR1C1KMT2AHDAC4MEN1HPGD
SCHEMBL30250167 0.81 AKR1C1 (0.47) AKR1C1KMT2AHDAC4MEN1HPGD
SCHEMBL27795098 0.73 ESR2 (0.49) ATMKMT2AMEN1HPGDADORA2A
SCHEMBL5330947 0.71 DPP4 (0.38) AKR1C1HDAC4HSD17B10HPGDPDE4A
SCHEMBL9682242 0.70 MEN1 (0.48) AKR1C1KMT2AMEN1L3MBTL1
SCHEMBL30250378 0.69 AKR1C1 (0.44) AKR1C1KMT2AHDAC4MEN1HPGD
SCHEMBL11226164 0.68 TSHR (0.39) KMT2AELANEMEN1HPGDL3MBTL1
SCHEMBL11041604 0.68 SLC6A2 (0.40)
SCHEMBL31107800 0.68 MGLL (0.51) KMT2AMEN1
SCHEMBL9306104 0.68 AKR1C1 (0.50) AKR1C1KMT2AHDAC4MEN1HPGD

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
WO-2007037497-A1 OPTICAL COMPENSATORY FILM, POLARIZING PLATE, AND LIQUID CRYSTAL DISPLAY DEVICE FUJIFILM CORPORATION (JP) 2007-04-05 WO disclosed