SCHEMBL9818541

SCHEMBL9818541

OBOc1cccc(-c2ccccc2)c1-c1ccccc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
MAPK1 P28482 3/20 0.40
TP53 P04637 1/20 0.40
RAB9A P51151 1/20 0.40
HNF4A P41235 1/20 0.38
ALDH1A1 P00352 2/20 0.38
HPGD P15428 1/20 0.38
BCL2L1 Q07817 1/20 0.38
HSD17B10 Q99714 1/20 0.38
HTR7 P34969 1/20 0.38
LMNA P02545 4/20 0.37
RXRA P19793 1/20 0.37
RXRB P28702 1/20 0.37
RXRG P48443 1/20 0.37
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
HDAC6 Q9UBN7 1/20 0.37
KDM4E B2RXH2 3/20 0.36

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
SCHEMBL430239 0.84 TDP1 (0.49) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL25661891 0.81 TDP1 (0.42) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL25941816 0.81 TDP1 (0.46) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL8602820 0.78 NCOA1 (0.46) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL30673426 0.78 NCOA1 (0.46) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL17752325 0.77 FFAR4 (0.41) TDP1L3MBTL1MAPK1ALDH1A1HTR7
SCHEMBL18854428 0.77 ALOX5 (0.38) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL25941821 0.76 PTGER1 (0.43) TDP1L3MBTL1MAPK1TP53RAB9A
SCHEMBL3437803 0.76 ALDH1A1 (0.43) TDP1L3MBTL1MAPK1HNF4AALDH1A1
SCHEMBL13685212 0.76 MAPK1 (0.44) TDP1L3MBTL1MAPK1TP53RAB9A

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
EP-0136683-B1 FLUOROCHLOROHYDROCARBON COMPOSITIONS DAIKIN INDUSTRIES, LTD. (JP) 1991-12-04 EP disclosed
US-4623475-A BORON- AND PHOSPHORUS-CONTAINING STABILIZERS DAIKIN KOGYO CO., LTD. (JP) 1986-11-18 US disclosed
EP-0136683-A2 Fluorochlorohydrocarbon compositions DAIKIN INDUSTRIES, LTD. (JP) 1985-04-10 EP disclosed