SCHEMBL776246

SCHEMBL776246

CC(C)CC(=O)NC1=C(NC(=O)CC(C)C)CCC=C1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 2/20 0.42
SMN1; SMN2 Q16637 4/20 0.41
LMNA P02545 2/20 0.39
HPGD P15428 2/20 0.39
RAB9A P51151 3/20 0.37
GAA P10253 3/20 0.37
ALDH1A1 P00352 2/20 0.37
NPC1 O15118 2/20 0.36
MAPT P10636 3/20 0.36
MAPK1 P28482 1/20 0.35
KDM4E B2RXH2 1/20 0.35
TSHR P16473 1/20 0.35
CYP1A2 P05177 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
POLB P06746 1/20 0.35
ADORA1 P30542 1/20 0.35

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
SCHEMBL778896 0.84 PTPN1 (0.45) PTPN1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL775707 0.79 TP53 (0.41) SMN1; SMN2LMNAHPGDRAB9AGAA
SCHEMBL775687 0.75 SOAT1 (0.44) LMNARAB9AMAPK1POLB
SCHEMBL774744 0.75 SOAT1 (0.44) LMNARAB9AMAPK1POLB
SCHEMBL7218828 0.66 PTPN1 (0.46) PTPN1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL13188044 0.65 HPGD (0.41) PTPN1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL8016937 0.65 KDM4E (0.35) SMN1; SMN2LMNAHPGDRAB9AGAA
SCHEMBL21765873 0.64 PTPN1 (0.88) PTPN1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL13178829 0.64 PTPN1 (0.68) PTPN1SMN1; SMN2LMNAHPGDRAB9A
SCHEMBL776272 0.62 PTPN1 (0.45) PTPN1SMN1; SMN2LMNAHPGDRAB9A

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
US-8673998-B2 Polymer compositions with improved cold flow BRIDGESTONE CORPORATION (JP) 2014-03-18 US disclosed
US-20120071583-A1 POLYMER COMPOSITIONS WITH IMPROVED COLD FLOW BRIDGESTONE CORPORATION (JP) 2012-03-22 US disclosed