SCHEMBL28237200

SCHEMBL28237200

CCCOC(=O)C(CC(CC)CC)C(=O)OCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 2/20 0.41
ALDH1A1 P00352 6/20 0.35
TSHR P16473 3/20 0.35
ATM Q13315 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
CYP3A4 P08684 2/20 0.35
LMNA P02545 1/20 0.34
ESR1 P03372 1/20 0.33
CHRM1 P11229 1/20 0.33
SLC6A2 P23975 1/20 0.33
KDR P35968 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 3/20 0.31
CA1 P00915 1/20 0.31
HDAC3 O15379 1/20 0.30
HDAC4 P56524 1/20 0.30
HDAC1 Q13547 1/20 0.30
HDAC7 Q8WUI4 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC10 Q969S8 1/20 0.30

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
SCHEMBL1010641 0.82 ALDH1A1 (0.42) HCAR2ALDH1A1TSHRATMTDP1
SCHEMBL6063389 0.81 HCAR2 (0.41) HCAR2ALDH1A1TSHRATMTDP1
SCHEMBL28236000 0.81 HCAR2 (0.35) HCAR2ALDH1A1TSHRTDP1LMNA
SCHEMBL6063809 0.80 HCAR2 (0.38) HCAR2ALDH1A1TSHRTDP1LMNA
SCHEMBL26243604 0.77 CA1 (0.42) HCAR2ALDH1A1TSHRATMTDP1
SCHEMBL28862574 0.77 TSHR (0.41) ALDH1A1TSHRATMTDP1CYP3A4
SCHEMBL28237120 0.77 HCAR2 (0.35) HCAR2ALDH1A1TSHRTDP1LMNA
SCHEMBL10608611 0.76 ALDH1A1 (0.38) HCAR2ALDH1A1TSHRATMTDP1
SCHEMBL452623 0.76 ALDH1A1 (0.40) HCAR2ALDH1A1TSHRTDP1LMNA
SCHEMBL28236018 0.75 TDP1 (0.37) ALDH1A1TSHRATMTDP1CYP3A4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-108473612-A The manufacturing method of solid catalyst component for olefin polymerization, polymerization of olefines catalyst and olefin polymer 东邦钛株式会社 2018-08-31 CN disclosed