SCHEMBL28108302

SCHEMBL28108302

COC(=O)C1Oc2cc(Cl)c(Cl)cc2OC1C(=O)OC

nearest known ligand 0.37

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.37
PTGS2 P35354 1/20 0.37
ALDH1A1 P00352 1/20 0.37
MAPT P10636 1/20 0.37
ITGA4 P13612 1/20 0.37
SLC6A4 P31645 7/20 0.36
SLC6A3 Q01959 7/20 0.36
LMNA P02545 1/20 0.36
TSHR P16473 1/20 0.35
SLC6A2 P23975 1/20 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
SCHEMBL28108305 0.93 PTGS1 (0.37) PTGS1PTGS2ALDH1A1MAPTITGA4
SCHEMBL28108315 0.76 ALDH1A1 (0.50) ALDH1A1MAPTITGA4LMNATSHR
SCHEMBL28108317 0.70 ALDH1A1 (0.45) ALDH1A1MAPTITGA4LMNATSHR
SCHEMBL17625113 0.70 ALDH1A1 (0.43) ALDH1A1MAPTITGA4
SCHEMBL16267227 0.70 ALDH1A1 (0.39) ALDH1A1MAPTITGA4
SCHEMBL30647307 0.70 ALDH1A1 (0.39) ALDH1A1MAPTITGA4
SCHEMBL9432259 0.70 SLC6A4 (0.40) SLC6A4SLC6A3
SCHEMBL1280782 0.69 SLC6A3 (0.51) SLC6A4SLC6A3SLC6A2
SCHEMBL28108362 0.65 ALDH1A1 (0.36) ALDH1A1MAPTITGA4
SCHEMBL29992013 0.65 KMT2A (0.47) ALDH1A1SLC6A4SLC6A3LMNASLC6A2

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-105985466-A Ziegler-Natta type catalyst, process for its preparation and catalyst system 中国石油天然气股份有限公司 2016-10-05 CN claimed
CN-105985466-A Ziegler-Natta type catalyst, process for its preparation and catalyst system 中国石油天然气股份有限公司 2016-10-05 CN disclosed