SCHEMBL2987304

SCHEMBL2987304

O=C1C[C@@H](NC(=O)C23CC4CC(CC(F)(C4)C2)C3)CCCN1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
GAA P10253 1/20 0.46
CCR2 P41597 3/20 0.44
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
EPHX1 P07099 2/20 0.34
KDM4E B2RXH2 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
THRB P10828 1/20 0.34
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
RAB9A P51151 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL1065451 0.87 GAA (0.47) GAACCR2CYP1A2CYP3A4CYP2D6
SCHEMBL719799 0.86 CCR2 (0.58) GAACCR2CYP1A2CYP3A4CYP2D6
SCHEMBL2979314 0.86 GAA (0.65) GAACCR2CYP1A2CYP3A4CYP2D6
SCHEMBL2971927 0.81 CCR2 (0.69) GAACCR2KDM4ESMN1; SMN2ALDH1A1
SCHEMBL3316845 0.79 ALOX15 (0.44) GAACCR2SMN1; SMN2POLBKMT2A
SCHEMBL5172985 0.79 ALOX15 (0.44) GAACCR2SMN1; SMN2POLBKMT2A
SCHEMBL3318233 0.76 HPGD (0.37) GAACCR2SMN1; SMN2ALDH1A1POLB
SCHEMBL3316925 0.71 CCR2 (0.60) CCR2EPHX1SMN1; SMN2ALDH1A1KMT2A
SCHEMBL14503263 0.69 GAA (0.79) GAACCR2CYP1A2CYP3A4CYP2D6
SCHEMBL1080974 0.69 CCR2 (0.58) GAACCR2ALDH1A1KMT2A

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-2229184-A2 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS Cambridge Enterprise Ltd. (GB) 2010-09-22 EP disclosed
WO-2009074794-A2 ANTI-INFLAMMATORY COMPOSITIONS AND COMBINATIONS CAMBRIDGE ENTERPRISE LIMITED (GB) 2009-06-18 WO disclosed