SCHEMBL8608652

SCHEMBL8608652

COc1c(C(C)(C)C)cc(CC(=O)NC(C)CN)cc1C(C)(C)C

nearest known ligand 0.39

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.39
KMT2A Q03164 5/20 0.39
MEN1 O00255 3/20 0.39
CACNA1I Q9P0X4 1/20 0.37
VCAM1 P19320 1/20 0.36
DHFR P00374 1/20 0.36
TNFRSF1A P19438 1/20 0.36
POLB P06746 1/20 0.36
GAA P10253 1/20 0.35
MAPK1 P28482 1/20 0.35
CYP1A2 P05177 1/20 0.35
KDM4E B2RXH2 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
SCHEMBL8606954 0.93 CACNA1I (0.37) ALDH1A1KMT2AMEN1CACNA1IVCAM1
SCHEMBL8606831 0.85 GAA (0.50) ALDH1A1KMT2AMEN1VCAM1POLB
SCHEMBL8604378 0.83 HSPA5 (0.35) KMT2AMEN1
SCHEMBL8608294 0.81 MAPK1 (0.51) ALDH1A1TNFRSF1AGAAMAPK1KDM4E
SCHEMBL8606920 0.81 ALDH1A1 (0.34) ALDH1A1KMT2AMEN1CACNA1ITNFRSF1A
SCHEMBL8608397 0.81 GAA (0.43) ALDH1A1KMT2AMEN1VCAM1POLB
SCHEMBL8608655 0.79 KMT2A (0.43) KMT2AMEN1POLB
SCHEMBL8608142 0.79 CA1 (0.43) ALDH1A1KMT2AMEN1POLBGAA
SCHEMBL5740247 0.79 TNFRSF1A (0.43) ALDH1A1KMT2AMEN1DHFRTNFRSF1A
SCHEMBL8609717 0.79 NR1H4 (0.41) ALDH1A1KMT2AMEN1POLB

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
US-5847187-A Organic phosphorous compound, a process for producing the same and a use thereof SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 1998-12-08 US disclosed