SCHEMBL30176239

SCHEMBL30176239

CC(C)(C)c1cc(Oc2ccc([N+](=O)[O-])cc2)ccc1Oc1ccc([N+](=O)[O-])cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 2/20 0.54
HSPB1 P04792 3/20 0.52
ALDH1A1 P00352 2/20 0.50
NR1H4 Q96RI1 2/20 0.50
MEN1 O00255 6/20 0.48
KMT2A Q03164 6/20 0.48
MAPT P10636 2/20 0.48
PDE7A Q13946 1/20 0.47
KDM4E B2RXH2 1/20 0.47
NPC1 O15118 1/20 0.44
MAPK1 P28482 1/20 0.44
RAB9A P51151 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
MYOC Q99972 1/20 0.44
SRD5A2 P31213 1/20 0.43
GAA P10253 1/20 0.43
PKM P14618 1/20 0.43
TBXA2R P21731 2/20 0.43
POLB P06746 1/20 0.43
GALR3 O60755 1/20 0.42

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
SCHEMBL30176238 0.92 HTT (0.58) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL28802595 0.88 HTT (0.51) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL27717441 0.86 ALDH1A1 (0.60) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL13216574 0.85 ALDH1A1 (0.52) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL27860418 0.85 CYP1A2 (0.55) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL28983411 0.83 HSPB1 (0.51) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL28983420 0.82 NR1H4 (0.48) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL7042030 0.81 TBXA2R (0.47) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL14451798 0.80 TLR9 (0.46) HTTHSPB1ALDH1A1NR1H4MEN1
SCHEMBL4840179 0.80 ALDH1A1 (0.44) HTTHSPB1ALDH1A1NR1H4MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925352-A High-transparency low-yellowing high-performance polyamide acid resin and preparation method of polyimide film 山东理工大学 2023-10-24 CN claimed
CN-115602836-A Composite graphite negative electrode material and preparation method thereof 珠海鹏亿渤能源科技有限公司(CN) 2023-01-13 CN claimed
CN-116925352-A High-transparency low-yellowing high-performance polyamide acid resin and preparation method of polyimide film 山东理工大学 2023-10-24 CN disclosed
CN-115602836-A Composite graphite negative electrode material and preparation method thereof 珠海鹏亿渤能源科技有限公司(CN) 2023-01-13 CN disclosed