SCHEMBL18649461

SCHEMBL18649461

CC(C)(C)OCC(=O)NCC(O)CO

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 2/20 0.34
LMNA P02545 3/20 0.33
MAPK1 P28482 1/20 0.32
CYP2C19 P33261 1/20 0.32
HIF1A Q16665 1/20 0.32
PRMT5 O14744 2/20 0.31
WDR77 Q9BQA1 2/20 0.31
AR P10275 1/20 0.30
VDR P11473 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
EGFR P00533 1/20 0.30
SRC P12931 1/20 0.30
AAK1 Q2M2I8 1/20 0.30

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
SCHEMBL12859465 1.00 SYK (0.34) SYKLMNAMAPK1CYP2C19HIF1A
SCHEMBL25038990 0.81 MAPK1 (0.43) LMNAMAPK1CYP2C19SMN1; SMN2AAK1
SCHEMBL18999996 0.79 LMNA (0.46) LMNACYP2C19SMN1; SMN2
SCHEMBL12732931 0.79 LMNA (0.45) LMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL12708575 0.76 LMNA (0.36) SYKLMNACYP2C19HIF1ASMN1; SMN2
SCHEMBL12871614 0.76 HPGD (0.35) LMNACYP2C19HIF1APRMT5WDR77
SCHEMBL19431118 0.76 HPGD (0.39) LMNACYP2C19HIF1ASMN1; SMN2EGFR
SCHEMBL7755318 0.75 TDP1 (0.42) SYKLMNA
SCHEMBL1222350 0.74 TDP1 (0.49) SYKLMNA
SCHEMBL1222348 0.74 TDP1 (0.49) SYKLMNA

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-9598432-B2 2,4-pyrimidinediamine compounds and uses as anti-proliferative agents RIGEL PHARMACEUTICALS, INC. (US) 2017-03-21 US disclosed