SCHEMBL2171968

SCHEMBL2171968

C=CCN(NC(C)(C)C(=O)O)C(=O)NCc1ccccc1

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 1/20 0.43
CYP2C9 P11712 2/20 0.42
ALDH1A1 P00352 5/20 0.41
LMNA P02545 3/20 0.41
CYP2C19 P33261 2/20 0.41
CYP2D6 P10635 1/20 0.41
RAB9A P51151 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.40
OPRM1 P35372 1/20 0.40
OPRL1 P41146 1/20 0.40
MMP8 P22894 1/20 0.39
CASP1 P29466 1/20 0.38
CYP3A4 P08684 1/20 0.38
OPRK1 P41145 1/20 0.38
GAA P10253 2/20 0.37
KMT2A Q03164 1/20 0.37
HPGD P15428 1/20 0.37

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
SCHEMBL2173674 0.86 MAPT (0.46) RIPK1CYP2C9ALDH1A1LMNACYP2C19
SCHEMBL1557963 0.77 ALDH1A1 (0.44) CYP2C9ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL3232967 0.74 ALDH1A1 (0.49) CYP2C9ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL3224087 0.73 PPID (0.56) CYP2C9ALDH1A1LMNASMN1; SMN2KMT2A
SCHEMBL2171962 0.72 SMN1; SMN2 (0.44) RIPK1ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL27869588 0.71 ALDH1A1 (0.46) CYP2C9ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL34467582 0.71 CYP2C9 (0.42) CYP2C9ALDH1A1LMNACYP2C19CYP2D6
SCHEMBL3463439 0.70 L3MBTL1 (0.44) RIPK1CYP2C9ALDH1A1CYP2C19CYP2D6
SCHEMBL10964253 0.69 GAA (0.54) ALDH1A1CYP2C19CYP3A4GAAKMT2A
SCHEMBL13430499 0.69 L3MBTL1 (0.39) RIPK1ALDH1A1LMNACYP2C19CYP2D6

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-2346871-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BioLab Corporation (JP) 2011-07-27 EP disclosed
WO-2010044485-A1 ALPHA HELIX MIMETICS IN THE TREATMENT OF CANCER PRISM BIOLAB CORPORATION (JP) 2010-04-22 WO disclosed