SCHEMBL28537112

SCHEMBL28537112

CCCCOC(=O)C1CCCCC1OC(=O)c1ccc(CCC)cc1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.42
CYP1A2 P05177 2/20 0.42
TSHR P16473 2/20 0.42
CYP2C19 P33261 2/20 0.42
ESR1 P03372 1/20 0.42
CYP2D6 P10635 1/20 0.42
MAPK1 P28482 1/20 0.42
NR1H2 P55055 1/20 0.42
RNASEL Q05823 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
PDE4D Q08499 1/20 0.41
ALDH1A1 P00352 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL28279402 0.87 KCNH2 (0.46) LMNATSHR
SCHEMBL28279416 0.85 KCNH2 (0.46) LMNATSHR
SCHEMBL28278397 0.84 CHRM2 (0.46) TSHRMAPK1CYP3A4
SCHEMBL28278041 0.81 CHRM2 (0.46) TSHRMAPK1CYP3A4
SCHEMBL28278032 0.80 LMNA (0.54) LMNAALDH1A1
SCHEMBL28279362 0.77 LMNA (0.54) LMNAALDH1A1
SCHEMBL28548068 0.76 ESR1 (0.39) TSHRESR1SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL10950553 0.76 ESR1 (0.70) LMNACYP1A2TSHRCYP2C19ESR1
SCHEMBL28063727 0.75 HTT (0.56) LMNATSHRSMN1; SMN2ALDH1A1HTT
SCHEMBL28278031 0.74 KCNH2 (0.55)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN claimed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN claimed
CN-109553705-B Catalyst component for olefin polymerization and preparation method thereof 中国石油化工股份有限公司 2021-04-13 CN disclosed
CN-109553712-B Catalyst component for olefin polymerization and catalyst thereof 中国石油化工股份有限公司 2021-03-16 CN disclosed