SCHEMBL28651271

SCHEMBL28651271

CCCCCCCCOC(=O)c1ccc(C(=O)OCCCCCCCC)c(C(=O)OCCCCCCCC)c1C

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
TSHR P16473 3/20 0.64
LMNA P02545 1/20 0.64
TP53 P04637 1/20 0.61
CYP3A4 P08684 1/20 0.61
MAPK1 P28482 1/20 0.61
KDM4E B2RXH2 2/20 0.56
HSD17B10 Q99714 2/20 0.56
POLB P06746 1/20 0.56
TDP1 Q9NUW8 1/20 0.54
L3MBTL1 Q9Y468 1/20 0.54
NPC1 O15118 1/20 0.51
MAPT P10636 1/20 0.51
RAB9A P51151 1/20 0.51
ESR1 P03372 2/20 0.50
KDM4A O75164 1/20 0.49
KDM4C Q9H3R0 1/20 0.49
AKR1C4 P17516 1/20 0.48
AKR1C3 P42330 1/20 0.48
AKR1C2 P52895 1/20 0.48

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
SCHEMBL3777722 0.90 ALDH1A1 (0.72) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL3779551 0.90 ALDH1A1 (0.72) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL30094749 0.90 ALDH1A1 (0.72) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL3773225 0.90 ALDH1A1 (0.72) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL6446351 0.90 ALDH1A1 (0.59) ALDH1A1TSHRLMNATP53CYP3A4
Hydrochloric Acid SCHEMBL27518179 0.88 ALDH1A1 (0.57) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL2971967 0.85 ALDH1A1 (0.60) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL2975180 0.85 ALDH1A1 (0.60) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL7064777 0.84 ALDH1A1 (0.64) ALDH1A1TSHRLMNATP53CYP3A4
SCHEMBL10883059 0.84 ALDH1A1 (0.64) ALDH1A1TSHRLMNATP53CYP3A4

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-113950549-A Aqueous liquid of treating agent for synthetic fiber and synthetic fiber 竹本油脂株式会社 2022-01-18 CN disclosed
CN-113728137-A Aqueous liquid of treating agent for synthetic fiber and method for producing synthetic fiber 竹本油脂株式会社 2021-11-30 CN disclosed
CN-113677849-A Treating agent for synthetic fiber and synthetic fiber 竹本油脂株式会社 2021-11-19 CN disclosed
CN-113677848-A Treating agent for synthetic fiber and synthetic fiber 竹本油脂株式会社 2021-11-19 CN disclosed