SCHEMBL4711038

SCHEMBL4711038

COc1cc(C(C)=O)cc(OC)c1OCCN1CCOCC1

nearest known ligand 0.70

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SYK P43405 1/20 0.70
ALDH1A1 P00352 3/20 0.57
KDM4E B2RXH2 3/20 0.57
SMN1; SMN2 Q16637 2/20 0.56
TSHR P16473 3/20 0.55
CYP2D6 P10635 2/20 0.55
SLC29A1 Q99808 2/20 0.52
MEN1 O00255 1/20 0.52
KMT2A Q03164 1/20 0.52
CYP2C9 P11712 1/20 0.49
GAA P10253 1/20 0.49
TDP1 Q9NUW8 1/20 0.48
HPGD P15428 1/20 0.47

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
SCHEMBL2088816 0.89 SYK (0.68) SYKALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL4472638 0.84 MEN1 (0.64) SYKALDH1A1KDM4ESMN1; SMN2MEN1
Morclofone SCHEMBL554800 0.83 SYK (0.60) SYKALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL10196165 0.82 SYK (1.00) SYKALDH1A1TSHRCYP2D6MEN1
SCHEMBL4714483 0.82 SYK (0.59) SYKALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL12435658 0.81 SYK (0.77) SYKSMN1; SMN2TSHRCYP2D6MEN1
SCHEMBL13380211 0.79 CYP2D6 (0.64) ALDH1A1KDM4ESMN1; SMN2TSHRCYP2D6
SCHEMBL523271 0.78 SYK (0.71) SYKALDH1A1SMN1; SMN2TSHRCYP2D6
SCHEMBL23195558 0.78 KDM4E (0.61) SYKALDH1A1KDM4ESMN1; SMN2TSHR
SCHEMBL3930808 0.78 KDM4E (0.61) SYKALDH1A1KDM4ESMN1; SMN2TSHR

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
EP-1373257-B9 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2008-10-15 EP disclosed
EP-1373257-B1 INHIBITORS OF C-JUN N-TERMINAL KINASES (JNK) AND OTHER PROTEIN KINASES VERTEX PHARMA (US) 2007-11-28 EP disclosed