SCHEMBL6829613

SCHEMBL6829613

O=c1cc(O)cc(C2CCCC2)o1

nearest known ligand 0.50

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 1/20 0.50
MEN1 O00255 1/20 0.44
GLA P06280 1/20 0.44
CYP3A4 P08684 1/20 0.44
KMT2A Q03164 1/20 0.44
CYP1B1 Q16678 1/20 0.38
CEL P19835 2/20 0.37
ESR2 Q92731 3/20 0.36
HDAC4 P56524 1/20 0.36
HDAC2 Q92769 1/20 0.36
HDAC8 Q9BY41 1/20 0.36
MAPT P10636 1/20 0.36
STS P08842 4/20 0.35
CDK4 P11802 1/20 0.34
CCND1 P24385 1/20 0.34
S1PR3 Q99500 2/20 0.34
ESR1 P03372 1/20 0.34
LMNA P02545 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL6827603 0.98 TDP1 (0.49) TDP1MEN1GLACYP3A4KMT2A
SCHEMBL6827998 0.98 TDP1 (0.49) TDP1MEN1GLACYP3A4KMT2A
SCHEMBL17292459 0.96 TDP1 (0.50) TDP1MEN1GLACYP3A4KMT2A
SCHEMBL1263377 0.92 TDP1 (0.53) TDP1MEN1GLACYP3A4KMT2A
SCHEMBL6827962 0.85 TDP1 (0.47) TDP1MEN1GLACYP3A4KMT2A
SCHEMBL6827433 0.80 TDP1 (0.43) TDP1MEN1GLACYP3A4KMT2A
SCHEMBL6829521 0.77 CYP1B1 (0.38) TDP1MEN1KMT2ACYP1B1CEL
SCHEMBL6827665 0.77 CYP1B1 (0.41) TDP1KMT2ACYP1B1CELHDAC4
SCHEMBL6829397 0.76 CYP1B1 (0.40) TDP1MEN1KMT2ACYP1B1CEL
SCHEMBL6824269 0.76 CYP1B1 (0.40) TDP1MEN1KMT2ACYP1B1CEL

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2004050624-A1 SUBSTITUTED 1H-PYRIDINE-2-ONE DERIVATIVES C & C RESEARCH LABORATORIES (KR) 2004-06-17 WO disclosed
US-6114546-A Aminomethylene derivatives and ultraviolet absorbent comprising thereof CHEMIPRO KASEI KAISHA, LIMITED (JP) 2000-09-05 US disclosed
CN-1236357-A Aminomethylene derivatives and ultraviolet absorber comprising the same CHEMIPRO KASEI KAISHA LTD (JP) 1999-11-24 CN disclosed
EP-0950655-A1 AMINOMETHYLENE DERIVATIVES AND ULTRAVIOLET ABSORBER COMPRISING THE SAME CHEMIPRO KASEI KAISHA, LIMITED (JP) 1999-10-20 EP disclosed