SCHEMBL9873439

SCHEMBL9873439

C=C1COc2c(C3(NC(=O)OCc4ccccc4)CC3)c(F)cc3c(=O)c(C(=O)OCC)cn1c23

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
STAT3 P40763 2/20 0.43
PIM1 P11309 1/20 0.36
IRAK1 P51617 1/20 0.36
CAMK2B Q13554 1/20 0.36
CAMK2G Q13555 1/20 0.36
CAMK2D Q13557 1/20 0.36
PIM3 Q86V86 1/20 0.36
TSHR P16473 2/20 0.35
MAPK1 P28482 1/20 0.35
ADRB2 P07550 1/20 0.35
KMT2A Q03164 3/20 0.35
GNRHR P30968 1/20 0.34
HTT P42858 1/20 0.34
P2RX3 P56373 1/20 0.34
KDM4E B2RXH2 3/20 0.34
HPGD P15428 2/20 0.34
ALDH1A1 P00352 2/20 0.34
PKM P14618 1/20 0.34
HSD17B10 Q99714 1/20 0.34
CYP2C19 P33261 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
SCHEMBL9873617 0.84 KDM4E (0.53) STAT3KMT2AKDM4EHPGDALDH1A1
SCHEMBL9874750 0.83 CNR1 (0.45) STAT3ADRB2KMT2AKDM4ECNR1
SCHEMBL9872703 0.83 CNR1 (0.45) STAT3TSHRMAPK1ADRB2KMT2A
SCHEMBL10921287 0.79 STAT3 (0.54) STAT3PIM1IRAK1CAMK2BCAMK2G
SCHEMBL9874431 0.77 CNR1 (0.39) STAT3ADRB2KMT2AKDM4EHPGD
SCHEMBL9873589 0.76 KDM4E (0.62) KMT2AKDM4EHPGDALDH1A1HSD17B10
SCHEMBL9874569 0.74 RORC (0.41) TSHRMAPK1KMT2AHTTKDM4E
SCHEMBL11073852 0.69 STAT3 (0.41) STAT3ADRB2KMT2AHTTKDM4E
SCHEMBL9872260 0.69 KDM4E (0.62) KMT2AKDM4E
SCHEMBL9873914 0.69 GSK3B (0.38) STAT3PIM1KMT2AKDM4EALDH1A1

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