SCHEMBL9465733

SCHEMBL9465733

CC(CO)(CO)NCc1c2ccccc2c(OCCCO)c2ccccc12

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CD274 Q9NZQ7 1/20 0.37
CYP1A2 P05177 1/20 0.36
KMT2A Q03164 2/20 0.34
NPBWR1 P48145 1/20 0.34
MCHR1 Q99705 1/20 0.34
SLC2A1 P11166 3/20 0.34
SMN1; SMN2 Q16637 1/20 0.32
KDM4E B2RXH2 4/20 0.32
POLB P06746 2/20 0.32
LMNA P02545 2/20 0.32
MEN1 O00255 1/20 0.32
ALDH1A1 P00352 2/20 0.32
CNR1 P21554 1/20 0.31
CNR2 P34972 1/20 0.31
PDE9A O76083 1/20 0.31
PDK2 Q15119 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
Hydrochloric Acid SCHEMBL9466527 0.99 CD274 (0.36) CD274CYP1A2KMT2ANPBWR1MCHR1
SCHEMBL29449853 0.93 CD274 (0.40) CD274CYP1A2KMT2ANPBWR1MCHR1
SCHEMBL10488246 0.93 CD274 (0.40) CD274CYP1A2KMT2ANPBWR1MCHR1
SCHEMBL10488277 0.92 SLC2A1 (0.39) CD274CYP1A2KMT2ANPBWR1MCHR1
Hydrochloric Acid SCHEMBL10488206 0.92 CD274 (0.39) CD274CYP1A2KMT2ANPBWR1MCHR1
Hydrochloric Acid SCHEMBL10488368 0.90 SLC2A1 (0.39) CD274CYP1A2KMT2ANPBWR1MCHR1
SCHEMBL10488292 0.88 CD274 (0.39) CD274CYP1A2KMT2ANPBWR1MCHR1
SCHEMBL10488302 0.86 CD274 (0.38) CD274CYP1A2KMT2ANPBWR1MCHR1
Hydrochloric Acid SCHEMBL10488528 0.84 CD274 (0.38) CD274CYP1A2KMT2ANPBWR1MCHR1
SCHEMBL10488248 0.82 KDM4E (0.47) CD274CYP1A2KMT2ANPBWR1MCHR1

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-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US claimed
US-5241107-A Antitumor agents BURROUGHS WELLCOME CO. (US) 1993-08-31 US disclosed