SCHEMBL9011639

SCHEMBL9011639

CCCC(O)COC(CO)CCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.36
LMNA P02545 2/20 0.35
USP2 O75604 1/20 0.34
KDM4E B2RXH2 1/20 0.31
DUSP3 P51452 1/20 0.31
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
CHRM1 P11229 1/20 0.30
AKR1A1 P14550 1/20 0.30
CHRM3 P20309 1/20 0.30
HTR2A P28223 1/20 0.30
HTR2C P28335 1/20 0.30
ADRA1A P35348 1/20 0.30
HRH1 P35367 1/20 0.30
DRD3 P35462 1/20 0.30
SLC6A3 Q01959 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC2 Q92769 1/20 0.30
TDP1 Q9NUW8 1/20 0.30
ALDH1A1 P00352 1/20 0.30

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
SCHEMBL30977044 0.81 CTSK (0.34) TSHRUSP2TDP1ALDH1A1
SCHEMBL11473987 0.80 USP2 (0.46) LMNAUSP2KDM4EDUSP3MEN1
SCHEMBL20373181 0.80 USP2 (0.50) TSHRLMNAUSP2KDM4EDUSP3
SCHEMBL26555041 0.79 SMN1; SMN2 (0.35) TSHRMEN1KMT2A
SCHEMBL1959443 0.78 TSHR (0.41) TSHRLMNAUSP2KDM4EDUSP3
SCHEMBL19281572 0.78 KDM4E (0.39) USP2KDM4ECHRM1AKR1A1CHRM3
SCHEMBL7606380 0.78 USP2 (0.47) TSHRLMNAUSP2KDM4EDUSP3
SCHEMBL7987887 0.77
SCHEMBL2611176 0.76 USP2 (0.55) LMNAUSP2KDM4EDUSP3MEN1
SCHEMBL14527630 0.76 USP2 (0.55) LMNAUSP2KDM4EDUSP3MEN1

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
US-5529874-A ETHER CARRIER LIQUID AND TONER PARTICLES DISPERSED THEREIN; SUITABLE FOR HIGH SPEED COPYING FUJI XEROX CO., LTD. (JP) 1996-06-25 US disclosed