SCHEMBL28325876

SCHEMBL28325876

CC(C)(C=O)CCCC(C)(C)C=O.[Cr]

nearest known ligand 0.30

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.30
USP2 O75604 1/20 0.30
ALDH1A1 P00352 1/20 0.30
CYP1A2 P05177 1/20 0.30
CYP3A4 P08684 1/20 0.30
CYP2D6 P10635 1/20 0.30
MAPT P10636 1/20 0.30
TSHR P16473 1/20 0.30
MAPK1 P28482 1/20 0.30
BLM P54132 1/20 0.30
KMT2A Q03164 1/20 0.30
ATM Q13315 1/20 0.30
HIF1A Q16665 1/20 0.30
NPSR1 Q6W5P4 1/20 0.30

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
SCHEMBL1284013 0.97 MEN1 (0.31) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL22129888 0.94 MEN1 (0.30) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL2419274 0.90 MEN1 (0.31) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL11883972 0.88 FFAR1 (0.35) MEN1USP2ALDH1A1CYP1A2CYP3A4
SCHEMBL26622164 0.80
SCHEMBL1410542 0.80 TSHR (0.40) TSHR
SCHEMBL29951400 0.80
SCHEMBL6857052 0.80 HIF1A (0.45) ALDH1A1MAPTTSHRHIF1A
SCHEMBL10530619 0.80 TSHR (0.33) TSHR
SCHEMBL5455322 0.80

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-110437353-A Chromium (iii) antigravity system with activator-support CHEVRON PHILLIPS CHEMICAL CO LP 2019-11-12 CN disclosed
CN-104774280-B Chromium (iii) catalyst system with activator-support 切弗朗菲利浦化学公司 2019-09-24 CN disclosed