SCHEMBL5157779

SCHEMBL5157779

CCCN(CCC)C(CC(=O)O)(CC(=O)O)C(=O)O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 2/20 0.39
TSHR P16473 2/20 0.39
CYP2C19 P33261 1/20 0.39
HIF1A Q16665 1/20 0.39
ALDH1A1 P00352 1/20 0.36
HMGCR P04035 1/20 0.36
CHRM1 P11229 1/20 0.36
TBXA2R P21731 1/20 0.36
ADRA1A P35348 1/20 0.36
FFAR3 O14843 2/20 0.33
HDAC3 O15379 1/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC2 Q92769 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HSPD1 P10809 1/20 0.33
BLM P54132 1/20 0.33
HSPE1 P61604 1/20 0.33
CA12 O43570 1/20 0.32
CA2 P00918 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL5601823 0.84 HSPD1 (0.42) TSHRALDH1A1HSPD1BLMHSPE1
SCHEMBL3027443 0.77 LMNA (0.40) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL8583429 0.76 CYP2D6 (0.34) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL18936928 0.75 CA12 (0.36) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL9702992 0.74 HSPD1 (0.32) HSPD1BLMHSPE1CA12CA9
SCHEMBL5812141 0.74 CYP2D6 (0.32) CYP2D6TSHRCYP2C19HIF1A
SCHEMBL18798914 0.71 ALDH1A1 (0.46) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL8581959 0.70 KDM5A (0.35) CYP2D6TSHRCYP2C19HIF1AHSPD1
SCHEMBL4998501 0.70 CYP2D6 (0.39) CYP2D6TSHRCYP2C19HIF1AALDH1A1
SCHEMBL8583397 0.68 TSHR (0.38) CYP2D6TSHRCYP2C19HIF1AALDH1A1

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-1159334-B1 PROCESS FOR THE MANUFACTURE OF FUNCTIONALIZED POLYPHENYLENE ETHERS GEN ELECTRIC (US) 2007-01-17 EP disclosed