SCHEMBL28400643

SCHEMBL28400643

CCCCOC(=O)C(Cl)(Cl)CCl

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ATM Q13315 1/20 0.45
TSHR P16473 5/20 0.42
HPGD P15428 1/20 0.42
HCAR2 Q8TDS4 1/20 0.40
NAAA Q02083 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
ESR1 P03372 3/20 0.38
EPHX1 P07099 1/20 0.37
LMNA P02545 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2D6 P10635 1/20 0.37
MAPK1 P28482 1/20 0.37
CYP2C19 P33261 1/20 0.37
NR1H2 P55055 1/20 0.37
RNASEL Q05823 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
ACHE P22303 6/20 0.36

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
SCHEMBL28397029 0.88 HCAR2 (0.36) ALDH1A1ATMTSHRHCAR2TDP1
SCHEMBL2000027 0.81 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL5611256 0.81 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL9418102 0.81 ALDH1A1 (0.45) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2064896 0.80 ALDH1A1 (0.54) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL28326166 0.79 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL2327063 0.79 ALDH1A1 (0.52) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL11604255 0.79 CYP4F2 (0.42) ALDH1A1TSHRLMNACYP1A2SMN1; SMN2
SCHEMBL9745975 0.78 TSHR (0.47) ALDH1A1ATMTSHRHPGDHCAR2
SCHEMBL6051089 0.78 ALDH1A1 (0.50) ALDH1A1ATMTSHRHPGDHCAR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 CN claimed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 CN claimed
CN-119371582-A Polybutadiene composite rubber and preparation method thereof, rubber composition and application thereof 中国石油化工股份有限公司 2025-01-28 CN disclosed
CN-108929396-B Rare earth metal catalyst system and method for preparing high cis conjugated diene polymer 北京化工大学 2020-07-28 CN disclosed
CN-108250371-B Bonding type polymer/silicon dioxide hybrid material and preparation method thereof 北京化工大学 2020-06-02 CN disclosed
CN-108250327-B Functionalized polymer containing silicon and hydroxyl at chain end, preparation method thereof and branched polymer 北京化工大学 2020-04-14 CN disclosed