SCHEMBL21177931

SCHEMBL21177931

CCC(C)(C)OOCCCOC(=O)OCCCOOC(C)(C)CC

nearest known ligand 0.36

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.36
ATM Q13315 1/20 0.32
TSHR P16473 3/20 0.32
NAAA Q02083 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
CYP4F2 P78329 1/20 0.31
CYP4A11 Q02928 1/20 0.31
HPGD P15428 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
SCHEMBL21177932 0.89 ALDH1A1 (0.32) ALDH1A1ATMTSHR
SCHEMBL7801141 0.85 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL30595883 0.85 HCAR2 (0.33) ALDH1A1ATMTSHRNAAACYP4F2
SCHEMBL20448113 0.80 TSHR (0.41) ALDH1A1TSHRTDP1
SCHEMBL4531238 0.78 AKR1B1 (0.40) ALDH1A1TSHRTDP1
SCHEMBL28550729 0.78 TSHR (0.39) ALDH1A1TSHRTDP1
SCHEMBL28955105 0.78 CYP1A2 (0.47) ALDH1A1TSHRTDP1CYP4F2CYP4A11
SCHEMBL22400778 0.78 DGKA (0.51) ALDH1A1TSHRNAAA
SCHEMBL6662434 0.77 ALDH1A1 (0.47) ALDH1A1TSHRTDP1
SCHEMBL5076033 0.77 ATM (0.47) ALDH1A1ATMTSHRNAAATDP1

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
WO-2019142803-A1 MATRIX RESIN, INTERMEDIATE MATERIAL, AND MOLDED ARTICLE 三菱ケミカル株式会社 2019-07-25 WO disclosed