SCHEMBL29013752

SCHEMBL29013752

CO[C]1C=C(C)C(OC)=C1

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HKDC1 Q2TB90 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
MAPK1 P28482 1/20 0.40
KMT2A Q03164 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TYR P14679 1/20 0.33
ERBB2 P04626 1/20 0.32

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
SCHEMBL11025815 0.70 MAPT (0.50) HKDC1KDM4EMEN1USP2TP53
SCHEMBL27256253 0.59
2,6-Dimethoxyquinone SCHEMBL570683 0.57 HKDC1 (1.00) HKDC1KDM4EMEN1USP2TP53
SCHEMBL197028 0.57 HKDC1 (0.70) HKDC1KDM4EMEN1USP2TP53
SCHEMBL684719 0.57 MAPT (0.73) HKDC1KDM4EMEN1USP2TP53
SCHEMBL18950021 0.56
SCHEMBL3417111 0.55 HKDC1 (0.56) HKDC1KDM4EMEN1USP2TP53
SCHEMBL17581119 0.50
SCHEMBL4797741 0.45
SCHEMBL14754529 0.45

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-112300303-B Catalyst system for olefin polymerization and application thereof 中国石油化工股份有限公司 2023-08-15 CN disclosed
CN-112300302-B Twelve-membered ring compound and application thereof 中国石油化工股份有限公司 2023-05-09 CN disclosed