SCHEMBL28405334

SCHEMBL28405334

COC(=O)C1(C)C=CC=CC1C(=O)O

nearest known ligand 0.33

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 3/20 0.33
MEN1 O00255 3/20 0.33
KMT2A Q03164 3/20 0.33
TSHR P16473 2/20 0.33
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
MAPT P10636 1/20 0.33
HTT P42858 1/20 0.33

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
SCHEMBL30142934 0.86 HTT (0.36) CYP3A4MEN1KMT2ATSHRKDM4E
SCHEMBL21950864 0.86 HTT (0.36) CYP3A4MEN1KMT2ATSHRKDM4E
SCHEMBL30142933 0.86 HTT (0.36) CYP3A4MEN1KMT2ATSHRKDM4E
SCHEMBL3039828 0.81
SCHEMBL47857 0.79 KDM4E (0.30) CYP3A4MEN1KMT2ATSHRKDM4E
SCHEMBL23909523 0.78
SCHEMBL30572917 0.78 ALDH1A1 (0.31) CYP3A4MEN1KMT2ATSHRKDM4E
SCHEMBL23909580 0.78
SCHEMBL74374 0.75 MGLL (0.30)
SCHEMBL498489 0.74

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111171195-A Propylene polymerization solid catalyst for reducing VOC and method for producing polypropylene using the same 韩华道达尔有限公司 2020-05-19 CN disclosed