SCHEMBL717112

SCHEMBL717112

C=C(C)C(=O)OCCCCc1ccc2ccc3cccc4ccc1c2c34

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.56
KMT2A Q03164 1/20 0.56
POLB P06746 1/20 0.42
APEX1 P27695 1/20 0.42
HTT P42858 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
TSHR P16473 2/20 0.42
KDM4E B2RXH2 1/20 0.39
ALDH1A1 P00352 1/20 0.39
MAPT P10636 1/20 0.39
HPGD P15428 1/20 0.39
ITPR1 Q14643 1/20 0.38
MTNR1A P48039 10/20 0.38
MTNR1B P49286 8/20 0.38
THRB P10828 1/20 0.37
GBA1 P04062 2/20 0.35
UGCG Q16739 2/20 0.35
GBA2 Q9HCG7 2/20 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
SCHEMBL28989825 0.99 MEN1 (0.54) MEN1KMT2APOLBAPEX1HTT
SCHEMBL17612596 0.90 KMT2A (0.56) MEN1KMT2APOLBAPEX1HTT
SCHEMBL27549022 0.90 MEN1 (0.44) MEN1KMT2APOLBAPEX1HTT
SCHEMBL9883386 0.87 KMT2A (0.61) MEN1KMT2APOLBKDM4EALDH1A1
SCHEMBL25310380 0.83 CDYL (0.46) POLBAPEX1HTTTDP1TSHR
SCHEMBL14579746 0.83 TSHR (0.57) POLBAPEX1HTTTDP1TSHR
SCHEMBL417057 0.83 KMT2A (0.51) MEN1KMT2APOLBAPEX1HTT
SCHEMBL30542093 0.83 KMT2A (0.51) MEN1KMT2APOLBAPEX1HTT
SCHEMBL28989701 0.82 TSHR (0.48) POLBAPEX1HTTTDP1TSHR
SCHEMBL28989657 0.82 TSHR (0.44) MEN1KMT2APOLBAPEX1HTT

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10403897-B2 Conductive polymer binder for a novel silicon/graphene anode in lithium ion batteries BAYERISCHE MOTOREN WERKE AKTIENGESELLSCHAFT (DE) 2019-09-03 US claimed
US-20180337407-A1 Conductive Polymer Binder for a Novel Silicon/Graphene Anode in Lithium Ion Batteries UNITED STATES DEPARTMENT OF ENERGY 2018-11-22 US claimed
CN-108395497-B Ultraviolet fluorescent space lubricating oil creeping barrier material 中国科学院兰州化学物理研究所 2021-03-30 CN disclosed
US-10403897-B2 Conductive polymer binder for a novel silicon/graphene anode in lithium ion batteries BAYERISCHE MOTOREN WERKE AKTIENGESELLSCHAFT (DE) 2019-09-03 US disclosed
US-10403897-B2 Conductive polymer binder for a novel silicon/graphene anode in lithium ion batteries BAYERISCHE MOTOREN WERKE AKTIENGESELLSCHAFT (DE) 2019-09-03 US disclosed
US-20180337407-A1 Conductive Polymer Binder for a Novel Silicon/Graphene Anode in Lithium Ion Batteries UNITED STATES DEPARTMENT OF ENERGY 2018-11-22 US disclosed
US-9150414-B2 Nanocomposite and dispersion comprising the same KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2015-10-06 US disclosed
US-20120053288-A1 NANOCOMPOSITE AND DISPERSION COMPRISING THE SAME KABUSHIKI KAISHA TOYOTA CHUO KENKYUSHO (JP) 2012-03-01 US disclosed