SCHEMBL8926172

SCHEMBL8926172

CCOc1c(C)c(C)c(O)c(C=O)c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IGF1R P08069 1/20 0.39
SRC P12931 1/20 0.39
AXL P30530 1/20 0.39
PTK2 Q05397 1/20 0.39
AURKB Q96GD4 1/20 0.39
ALK Q9UM73 1/20 0.39
IMPDH2 P12268 3/20 0.38
MAOB P27338 1/20 0.38
USP2 O75604 1/20 0.37
CYP3A4 P08684 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.35
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 2/20 0.34
LMNA P02545 2/20 0.34
MEN1 O00255 1/20 0.34
HPGD P15428 1/20 0.34
KMT2A Q03164 1/20 0.34
AOX1 Q06278 1/20 0.34
TRIM24 O15164 1/20 0.33
TRIM33 Q9UPN9 1/20 0.33

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
SCHEMBL25326777 0.80 KDM4E (0.33) IMPDH2ALDH1A1KDM4EHPGDESR1
SCHEMBL26974234 0.76 LMNA (0.36) IGF1RSRCAXLPTK2AURKB
SCHEMBL21929661 0.73 MAOB (0.44) IGF1RSRCAXLPTK2AURKB
SCHEMBL11953498 0.73 MAOB (0.44) IGF1RSRCAXLPTK2AURKB
SCHEMBL25327981 0.72 CYP1A2 (0.35) IMPDH2
SCHEMBL1527179 0.72 IGF1R (0.43) IGF1RSRCAXLPTK2AURKB
SCHEMBL5590551 0.71 KDM4E (0.31) IMPDH2ALDH1A1KDM4EHPGD
SCHEMBL5587348 0.71 KDM4E (0.31) IMPDH2ALDH1A1KDM4EHPGD
SCHEMBL1527152 0.71 IMPDH2 (0.47) IGF1RSRCAXLPTK2AURKB
SCHEMBL8922362 0.69 SMN1; SMN2 (0.43) MAOBSMN1; SMN2ALDH1A1KDM4ELMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5624961-A Benzylaminoethoxybenzene derivatives, production thereof and use thereof JAPAN TOBACCO INC. (JP) 1997-04-29 US disclosed
EP-0693474-A1 NOVEL BENZYLAMINOETHOXYBENZENE DERIVATIVE, PROCESS FOR PRODUCING THE SAME, AND USE THEREOF Toyo Boseki Kabushiki Kaisha (JP) 1996-01-24 EP disclosed