SCHEMBL28501174

SCHEMBL28501174

CCCC(C(=O)C(=O)c1ccccc1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES2 O00748 8/20 0.49
CES1 P23141 8/20 0.49
LMNA P02545 4/20 0.47
ALDH1A1 P00352 3/20 0.47
MAPT P10636 3/20 0.47
NPSR1 Q6W5P4 3/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
KDM4E B2RXH2 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.47
HSD17B10 Q99714 1/20 0.45
CYP1A2 P05177 1/20 0.45
CYP3A4 P08684 1/20 0.45
CYP2D6 P10635 1/20 0.45
CYP2C9 P11712 1/20 0.45
CYP2C19 P33261 1/20 0.45
KCNQ2 O43526 1/20 0.43
XBP1 P17861 2/20 0.42
MAPK1 P28482 1/20 0.42
RAB9A P51151 1/20 0.42
SLC6A2 P23975 1/20 0.42

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
SCHEMBL27614814 0.90 CES2 (0.51) CES2CES1LMNAALDH1A1MAPT
SCHEMBL9240062 0.84 CYP2C19 (0.48) CES2CES1LMNAALDH1A1HSD17B10
SCHEMBL8079874 0.84 CYP2C19 (0.48) CES2CES1LMNAALDH1A1HSD17B10
SCHEMBL6203195 0.82 LMNA (0.60) CES2CES1LMNAALDH1A1MAPT
SCHEMBL28571432 0.81 SMN1; SMN2 (0.46) CES2CES1LMNAALDH1A1MAPT
SCHEMBL28718558 0.81 CYP2C19 (0.46) LMNAALDH1A1HSD17B10CYP1A2CYP3A4
SCHEMBL19228532 0.80 CYP2C19 (0.53) LMNASMN1; SMN2HSD17B10CYP1A2CYP3A4
SCHEMBL643461 0.80 CYP2C19 (0.53) LMNASMN1; SMN2HSD17B10CYP1A2CYP3A4
SCHEMBL27844978 0.79 CES2 (0.52) CES2CES1LMNAALDH1A1MAPT
SCHEMBL6728896 0.78 CYP2C19 (0.49) CES2CES1LMNAALDH1A1HSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118852845-A Resin matrix curing agent and processing technology thereof 上海惊叹化学有限公司 2024-10-29 CN claimed
CN-112028801-B Chain extender and preparation method and application thereof 华南农业大学 2021-07-09 CN claimed
CN-112028801-A Chain extender and preparation method and application thereof 华南农业大学 2020-12-04 CN claimed
CN-112028801-B Chain extender and preparation method and application thereof 华南农业大学 2021-07-09 CN disclosed
CN-112159509-B Waterborne polyurethane and preparation method and application thereof 华南农业大学 2021-07-09 CN disclosed
CN-112159509-A Waterborne polyurethane and preparation method and application thereof 华南农业大学 2021-01-01 CN disclosed
CN-112028801-A Chain extender and preparation method and application thereof 华南农业大学 2020-12-04 CN disclosed