SCHEMBL28432207

SCHEMBL28432207

CC(C)(C)c1ccc(P(O)O)c(C(C)(C)C)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
ALOX15 P16050 3/20 0.43
HSD17B10 Q99714 2/20 0.43
HPGD P15428 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
MAPT P10636 3/20 0.39
MEN1 O00255 1/20 0.39
GAA P10253 1/20 0.39
PKM P14618 1/20 0.39
RECQL P46063 1/20 0.39
KMT2A Q03164 1/20 0.39
LMNA P02545 2/20 0.38
TYR P14679 2/20 0.38
CYP1A2 P05177 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
TSHR P16473 2/20 0.34
KDM4E B2RXH2 1/20 0.34
ATP2A2 P16615 1/20 0.34
ATP2A3 Q93084 1/20 0.34
CYP2D6 P10635 1/20 0.34

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
SCHEMBL2846251 0.84 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29762702 0.83 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL2465881 0.83 ALDH1A1 (0.41) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL29216516 0.82 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL28138897 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL9347288 0.79 ALDH1A1 (0.39) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL28228251 0.78 TSHR (0.37) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL1134579 0.75 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL8845948 0.75 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1
SCHEMBL597699 0.75 ALDH1A1 (0.59) ALDH1A1ALOX15HSD17B10HPGDTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111057306-A TPV composition and preparation method thereof 会通新材料(上海)有限公司 2020-04-24 CN claimed
CN-111057306-B TPV composition and preparation method thereof 会通新材料(上海)有限公司 2022-05-31 CN disclosed
CN-111057306-A TPV composition and preparation method thereof 会通新材料(上海)有限公司 2020-04-24 CN disclosed