SCHEMBL9874431

SCHEMBL9874431

CCOC(=O)c1cn2c3c(c(C4(NC(=O)OCc5ccccc5)CC4)c(F)cc3c1=O)OCC2COC1CCCCO1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR1 P21554 9/20 0.39
CNR2 P34972 9/20 0.39
KDM4E B2RXH2 2/20 0.38
KMT2A Q03164 1/20 0.38
STAT3 P40763 2/20 0.36
ADRB2 P07550 1/20 0.35
EP300 Q09472 1/20 0.33
CREBBP Q92793 1/20 0.33
GSK3B P49841 1/20 0.32
HDAC3 O15379 2/20 0.32
TUBB4A P04350 2/20 0.32
TUBB P07437 2/20 0.32
TUBA3C P0DPH7 2/20 0.32
HDAC4 P56524 2/20 0.32
TUBA1B P68363 2/20 0.32
TUBA4A P68366 2/20 0.32
TUBB4B P68371 2/20 0.32
TUBB3 Q13509 2/20 0.32
HDAC1 Q13547 2/20 0.32
TUBB2A Q13885 2/20 0.32

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
SCHEMBL9874750 0.87 CNR1 (0.45) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL9872703 0.87 CNR1 (0.45) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL9873617 0.85 KDM4E (0.53) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL9873589 0.78 KDM4E (0.62) CNR1CNR2KDM4EKMT2AGSK3B
SCHEMBL9873439 0.77 STAT3 (0.43) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL9874569 0.69 RORC (0.41) KDM4EKMT2AALDH1A1
SCHEMBL30542841 0.69 CNR1 (0.56) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL10919407 0.69 CNR1 (0.56) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL30542842 0.69 CNR1 (0.56) CNR1CNR2KDM4EKMT2ASTAT3
SCHEMBL4262410 0.69 CNR1 (0.56) CNR1CNR2KDM4EKMT2ASTAT3

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-4990508-A Reduced side effects TOYAMA CHEMICAL CO., LTD. (JP) 1991-02-05 US disclosed