SCHEMBL11265833

SCHEMBL11265833

O=Cc1ccc(N(CCCl)CCCl)cc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYR P14679 2/20 0.41
TRIM24 O15164 1/20 0.41
TRIM33 Q9UPN9 1/20 0.41
ALDH1A1 P00352 10/20 0.40
MAPT P10636 7/20 0.40
KDM4E B2RXH2 6/20 0.40
KMT2A Q03164 4/20 0.40
LMNA P02545 4/20 0.40
MEN1 O00255 3/20 0.40
TDP1 Q9NUW8 2/20 0.40
CRHBP P24387 1/20 0.40
CRHR2 Q13324 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
SMN1; SMN2 Q16637 5/20 0.39
HIF1A Q16665 3/20 0.39
HTT P42858 2/20 0.39
HPGD P15428 2/20 0.39
NFKB1 P19838 2/20 0.39
THPO P40225 2/20 0.39
PMP22 Q01453 2/20 0.39

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
SCHEMBL11823877 0.84 TYR (0.42) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL30665426 0.83 ALDH1A1 (0.47) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL9189739 0.83 ALDH1A1 (0.47) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL31696766 0.81 ALDH1A1 (0.41) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL9730719 0.81 TDP1 (0.48) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL17221903 0.81 MAPT (0.42) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL7064653 0.81 ALDH1A1 (0.51) TYRTRIM24TRIM33ALDH1A1MAPT
SCHEMBL11697271 0.80 ALDH1A1 (0.40) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL10333910 0.80 ALDH1A1 (0.49) ALDH1A1MAPTKDM4EKMT2ALMNA
SCHEMBL8378029 0.80 SLC16A3 (0.49) TYRTRIM24TRIM33ALDH1A1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4345073-A 7,7'-Diamino derivatives of 2,2'-spirodibenzopyranes BASF AKTIENGESELLSCHAFT (DE) 1982-08-17 US disclosed
US-4316027-A DYE INTERMEDIATES USED IN THE MANUFACTURE OF PRESSURE SENSITIVE RECORDING MATERIAL BASF AKTIENGESELLSCHAFT (DE) 1982-02-16 US disclosed
US-4110348-A PRESSURE SENSITIVE RECORDING BASF AKTIENGESELLSCHAFT (DE) 1978-08-29 US disclosed