SCHEMBL16290076

SCHEMBL16290076

CCC(C(=O)O)(C(C)C)C(C)NC1CCCCC1

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 3/20 0.40
EPHX2 P34913 4/20 0.38
ATM Q13315 2/20 0.36
RECQL P46063 2/20 0.36
SMN1; SMN2 Q16637 1/20 0.35
KDM4E B2RXH2 2/20 0.35
ALDH1A1 P00352 2/20 0.35
THRB P10828 1/20 0.35
L3MBTL1 Q9Y468 1/20 0.35
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
TSHR P16473 1/20 0.34
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2D6 P10635 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
SCHEMBL16290178 0.76 CTSK (0.31)
SCHEMBL16290027 0.72 SMN1; SMN2 (0.32) SMN1; SMN2
SCHEMBL9952000 0.71 ALDH1A1 (0.33) SMN1; SMN2ALDH1A1THRBMEN1KMT2A
Trifluoroacetic Acid SCHEMBL28005455 0.69 PDK1 (0.43) EPHX1EPHX2ATMRECQLSMN1; SMN2
Ammonia Solution, Strong SCHEMBL27560424 0.69 ALDH1A1 (0.32) ALDH1A1THRBMEN1KMT2ATSHR
Acetic Acid SCHEMBL7704610 0.68 ATM (0.47) EPHX1EPHX2ATMRECQLSMN1; SMN2
SCHEMBL3546762 0.67 EPHX1 (0.41) EPHX1EPHX2RECQLSMN1; SMN2KDM4E
SCHEMBL1468176 0.66 ALDH1A1 (0.49) EPHX1EPHX2ATMRECQLSMN1; SMN2
SCHEMBL5980144 0.66 ALDH1A1 (0.49) EPHX1EPHX2ATMRECQLSMN1; SMN2
SCHEMBL38557 0.66 ALDH1A1 (0.49) EPHX1EPHX2ATMRECQLSMN1; SMN2

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-2625210-B1 PROCESS FOR POLYMERISATION OF ETHYLENE SAUDI BASIC IND CORP (SA) 2014-12-17 EP claimed