SCHEMBL28041672

SCHEMBL28041672

C=C(C)C(=O)OC(c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)OC(=O)CC(O)(CC(=O)O)C(=O)O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HIF1A Q16665 3/20 0.38
CYP2C19 P33261 2/20 0.38
SLC13A5 Q86YT5 9/20 0.37
KDM4E B2RXH2 6/20 0.36
LMNA P02545 6/20 0.36
CYP1A2 P05177 4/20 0.36
CYP2D6 P10635 4/20 0.36
MEN1 O00255 3/20 0.36
KMT2A Q03164 3/20 0.36
ALDH1A1 P00352 2/20 0.35
MAPT P10636 2/20 0.34
TP53 P04637 2/20 0.34
CYP2C9 P11712 2/20 0.34
MAPK1 P28482 2/20 0.34
GMNN O75496 1/20 0.34
ESR1 P03372 1/20 0.34
CYP3A4 P08684 1/20 0.34
TSHR P16473 1/20 0.34
ALOX12 P18054 1/20 0.34
NFKB1 P19838 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
Citric Acid SCHEMBL27746321 0.92 CYP2C19 (0.45) HIF1ACYP2C19SLC13A5KDM4ELMNA
SCHEMBL27800485 0.85 CYP2C19 (0.36) HIF1ACYP2C19SLC13A5KDM4ELMNA
SCHEMBL27469877 0.85 CYP2C19 (0.39) HIF1ACYP2C19SLC13A5KDM4ELMNA
SCHEMBL28097057 0.82 CYP2C19 (0.33) HIF1ACYP2C19
SCHEMBL28041671 0.81 CYP2C19 (0.34) HIF1ACYP2C19CYP1A2CYP2D6
SCHEMBL7607192 0.79 ALDH1A1 (0.48) HIF1ACYP2C19SLC13A5KDM4ELMNA
SCHEMBL435821 0.78 ELANE (0.45) HIF1ACYP2C19KDM4ECYP1A2CYP2D6
SCHEMBL1230540 0.77 ALDH1A1 (0.52) HIF1ACYP2C19SLC13A5KDM4ELMNA
Phosphine SCHEMBL27261108 0.76 ELANE (0.44) HIF1ACYP2C19KDM4ECYP1A2CYP2D6
Acetic Acid SCHEMBL28277118 0.76 ELANE (0.44) HIF1ACYP2C19KDM4ECYP1A2CYP2D6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110235031-A Film roll and method for producing same 柯尼卡美能达株式会社 2019-09-13 CN disclosed
CN-103238103-B Liquid crystal indicator KONICA MINOLTA,INC. (JP) 2015-12-09 CN disclosed