SCHEMBL8569979

SCHEMBL8569979

COc1ccccc1OCC(C(=O)O)c1ccc(OC)c2nc[nH]c12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.41
POLB P06746 1/20 0.41
LMNA P02545 4/20 0.41
CYP1A2 P05177 2/20 0.41
KDM4E B2RXH2 1/20 0.41
AGTR1 P30556 1/20 0.39
ABL1 P00519 1/20 0.39
RAD52 P43351 1/20 0.39
RIN1 Q13671 1/20 0.39
KMT2A Q03164 1/20 0.37
BRD4 O60885 1/20 0.36
RXRA P19793 1/20 0.36
HTR1A P08908 1/20 0.36
ADRA1D P25100 1/20 0.36
ADRA1A P35348 1/20 0.36
ADRA1B P35368 1/20 0.36
DHODH Q02127 1/20 0.36
ATM Q13315 1/20 0.36
HSD17B10 Q99714 1/20 0.35
MAPT P10636 1/20 0.35

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
SCHEMBL8571587 0.91 GAA (0.39) SMN1; SMN2POLBLMNACYP1A2ABL1
SCHEMBL8571555 0.86 BRD4 (0.37) LMNAABL1RAD52RIN1BRD4
SCHEMBL2524514 0.85 TSHR (0.39) SMN1; SMN2POLBCYP1A2KDM4EABL1
SCHEMBL8574158 0.85 CPA1 (0.44) KDM4EABL1RAD52RIN1
SCHEMBL8575582 0.83 TAS1R3 (0.40) SMN1; SMN2POLBLMNAABL1RAD52
SCHEMBL8575388 0.79 PTGS1 (0.44) CYP1A2KDM4EABL1RAD52RIN1
SCHEMBL8571045 0.79 ABL1 (0.42) POLBLMNACYP1A2ABL1RAD52
SCHEMBL8572893 0.79 LDHA (0.46) POLBBRD4L3MBTL1
SCHEMBL8575109 0.78 MMP1 (0.39) POLBKMT2A
SCHEMBL8571927 0.76 ABL1 (0.38) CYP1A2KDM4EABL1RAD52RIN1

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-1998005327-A1 SUBSTITUTED AROMATIC COMPOUNDS RHONE-POULENC RORER PHARMACEUTICALS INC. (US) 1998-02-12 WO disclosed