SCHEMBL28025979

SCHEMBL28025979

CC1=C(c2ccccc2)c2ccccc2[CH]1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.41
MAPT P10636 4/20 0.41
HTT P42858 2/20 0.41
NPSR1 Q6W5P4 2/20 0.41
MITF O75030 1/20 0.41
CDC25A P30304 1/20 0.40
CDC25B P30305 1/20 0.40
HSP90AA1 P07900 2/20 0.39
HSP90AB1 P08238 2/20 0.39
LMNA P02545 4/20 0.39
HSD17B10 Q99714 3/20 0.39
MEN1 O00255 3/20 0.39
KMT2A Q03164 3/20 0.39
POLB P06746 2/20 0.39
ACHE P22303 2/20 0.39
KDM4E B2RXH2 1/20 0.39
BCHE P06276 1/20 0.39
PTPRC P08575 1/20 0.39
THRB P10828 1/20 0.39
PKM P14618 1/20 0.39

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
SCHEMBL5916017 0.81 ALDH1A1 (0.44) ALDH1A1MAPTHTTNPSR1MITF
SCHEMBL28821635 0.80 MAOB (0.41) ALDH1A1MAPTNPSR1LMNAHSD17B10
SCHEMBL28025431 0.80 CYP2A6 (0.45) ALDH1A1MAPTHTTLMNAHSD17B10
SCHEMBL28025951 0.79 CYP2A6 (0.44) ALDH1A1MAPTLMNAHSD17B10MEN1
SCHEMBL28519606 0.78 ESR2 (0.36) ALDH1A1MAPTHTTNPSR1MITF
SCHEMBL28025428 0.77 GSTP1 (0.47) ALDH1A1HSD17B10HPGDTSHRCYP1A2
SCHEMBL28219800 0.77 NAT1 (0.40) ALDH1A1MAPTHTTLMNAHSD17B10
SCHEMBL28510551 0.76 ADORA3 (0.41) ALDH1A1MAPTHTTNPSR1MITF
SCHEMBL28460097 0.76 PDE4B (0.46) ALDH1A1MAPTHTTNPSR1MITF
SCHEMBL2857565 0.76 ALDH1A1 (0.39) ALDH1A1MAPTHTTNPSR1MITF

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
CN-108137729-B Catalysts for forming multimodal polymers 埃克森美孚化学专利公司 2021-02-05 CN disclosed
CN-104822697-A Bridged metallocene compounds, catalyst systems and polymerization processes using the same EXXONMOBIL CHEM PATENTS INC 2015-08-05 CN disclosed