SCHEMBL29201869

SCHEMBL29201869

CCOc1cc(C(C)(C)C)cc(C)c1OCC

nearest known ligand 0.41

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.41
ESR1 P03372 1/20 0.41
KDM4E B2RXH2 3/20 0.40
ALDH1A1 P00352 8/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HTT P42858 3/20 0.38
SMN1; SMN2 Q16637 3/20 0.38
POLB P06746 2/20 0.38
HTR1D P28221 1/20 0.37
HSD17B10 Q99714 2/20 0.36
LMNA P02545 1/20 0.36
GAA P10253 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
SCHEMBL12401801 0.88 POLB (0.43) TSHRESR1KDM4EALDH1A1NPSR1
SCHEMBL14227116 0.83 RXRA (0.43) TSHRALDH1A1NPSR1HTTSMN1; SMN2
SCHEMBL22278279 0.82 NCOA1 (0.41) TSHRKDM4EALDH1A1HSD17B10LMNA
SCHEMBL13021643 0.82 ALDH1A1 (0.39) TSHRESR1KDM4EALDH1A1NPSR1
SCHEMBL26778019 0.81 POLB (0.38) TSHRESR1KDM4EALDH1A1NPSR1
SCHEMBL22820476 0.81 KDM4E (0.47) TSHRESR1KDM4EALDH1A1NPSR1
SCHEMBL11436470 0.78 KDM4E (0.62) ESR1KDM4EALDH1A1NPSR1HTT
SCHEMBL12761488 0.76 SMN1; SMN2 (0.40) TSHRKDM4EALDH1A1NPSR1HTT
SCHEMBL11005697 0.76 KDM4E (0.47) TSHRKDM4EALDH1A1HTTSMN1; SMN2
SCHEMBL2942871 0.76 ALDH1A1 (0.49) ESR1KDM4EALDH1A1NPSR1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117964812-A Alkoxy magnesium particles, and corresponding catalyst solid component and catalyst system thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117964813-A Solid catalyst component and catalyst system for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed
CN-117964814-A Ziegler-Natta solid catalyst component, catalyst and application thereof 中国石油化工股份有限公司 2024-05-03 CN disclosed