SCHEMBL28383000

SCHEMBL28383000

CC1=C(C)C(C)=C(c2ccccc2)C1

nearest known ligand 0.44

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CFTR P13569 1/20 0.44
GOPC Q9HD26 1/20 0.44
ALDH1A1 P00352 1/20 0.36
KMT2A Q03164 1/20 0.34
PTGS2 P35354 6/20 0.34
PTGS1 P23219 5/20 0.34
ACHE P22303 2/20 0.33
LMNA P02545 1/20 0.33
TSHR P16473 1/20 0.33
ALOX12 P18054 1/20 0.33
BCHE P06276 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
CYP2A6 P11509 1/20 0.31
CYP2B6 P20813 1/20 0.31
SLC22A2 O15244 1/20 0.31
SLC22A1 O15245 1/20 0.31
SLC22A3 O75751 1/20 0.31
SLC6A4 P31645 1/20 0.31
APP P05067 1/20 0.31

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
SCHEMBL21899692 0.87
SCHEMBL27933484 0.82 CFTR (0.41) CFTRGOPCALDH1A1KMT2APTGS2
SCHEMBL27949026 0.82 PTGS2 (0.42) CFTRGOPCALDH1A1KMT2APTGS2
Hydrochloric Acid SCHEMBL7834977 0.79 CFTR (0.39) CFTRGOPCALDH1A1KMT2APTGS2
Hydrochloric Acid SCHEMBL6289709 0.77 CFTR (0.38) CFTRGOPCPTGS2PTGS1
Hydrochloric Acid SCHEMBL6286926 0.77 CFTR (0.38) CFTRGOPCALDH1A1KMT2APTGS2
SCHEMBL27933440 0.74 PTGS2 (0.43) CFTRGOPCALDH1A1KMT2APTGS2
SCHEMBL8157241 0.73
Hydrochloric Acid SCHEMBL6928540 0.72 RAB9A (0.36) CFTRGOPCALDH1A1KMT2APTGS2
SCHEMBL31608569 0.71 CYP17A1 (0.47) CFTRGOPCKMT2APTGS2ACHE

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-111032702-B Catalyst composition for preparing elastomeric copolymers comprising ethylene and alpha-olefin or ethylene, alpha-olefin and unconjugated diene and process for preparing elastomeric copolymers therewith 锦湖POLYCHEM株式会社 2022-04-12 CN disclosed
CN-111032702-A Catalyst composition for preparing elastomeric copolymers comprising ethylene and α -olefin or ethylene, α -olefin and unconjugated diene and process for preparing elastomeric copolymers therewith 锦湖POLYCHEM株式会社 2020-04-17 CN disclosed