SCHEMBL7768016

SCHEMBL7768016

C[C](C)C(C)c1ccco1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.46
KMT2A Q03164 5/20 0.46
MEN1 O00255 4/20 0.46
MAPT P10636 3/20 0.46
KDM4E B2RXH2 2/20 0.46
TDP1 Q9NUW8 1/20 0.46
ALOX5 P09917 1/20 0.44
POLB P06746 4/20 0.43
PKM P14618 1/20 0.43
PTPN1 P18031 1/20 0.43
PTPN7 P35236 1/20 0.43
BLM P54132 1/20 0.43
ESR2 Q92731 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
AGTR1 P30556 1/20 0.39
TP53 P04637 1/20 0.39
HSD17B10 Q99714 3/20 0.37
HPGD P15428 4/20 0.36
MAPK1 P28482 1/20 0.35
CYP2C19 P33261 2/20 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
SCHEMBL11538261 0.82 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL27536602 0.79 KMT2A (0.52) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL2480787 0.77 KMT2A (0.61) ALDH1A1KMT2AMEN1MAPTKDM4E
Hydrochloric Acid SCHEMBL9402317 0.76 KMT2A (0.59) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL9402314 0.76 ALOX5 (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL3577958 0.76 ALOX5 (0.58) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL10525567 0.76 ALOX5 (0.49) ALDH1A1KMT2AMEN1MAPTKDM4E
SCHEMBL10442620 0.75
SCHEMBL4088167 0.75
SCHEMBL1133548 0.75

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
EP-0718281-B1 CYCLOHEXANEDIUREA DERIVATIVE AND PROCESS FOR PRODUCING THE SAME NISSIN FOOD PRODUCTS LTD (JP) 2001-06-27 EP claimed