SCHEMBL27469877

SCHEMBL27469877

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

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C19 P33261 2/20 0.39
HIF1A Q16665 2/20 0.39
SLC13A5 Q86YT5 3/20 0.35
CYP1A2 P05177 4/20 0.34
CYP2D6 P10635 3/20 0.34
KDM4E B2RXH2 4/20 0.34
LMNA P02545 3/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 4/20 0.33
CYP2C9 P11712 2/20 0.33
KCNN4 O15554 1/20 0.33
SMN1; SMN2 Q16637 2/20 0.32
GMNN O75496 1/20 0.32
ESR1 P03372 1/20 0.32
TP53 P04637 1/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
ALOX12 P18054 1/20 0.32
NFKB1 P19838 1/20 0.32

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
SCHEMBL27800485 0.87 CYP2C19 (0.36) CYP2C19HIF1ASLC13A5CYP1A2CYP2D6
SCHEMBL28041672 0.85 HIF1A (0.38) CYP2C19HIF1ASLC13A5CYP1A2CYP2D6
SCHEMBL7607192 0.85 ALDH1A1 (0.48) CYP2C19HIF1ASLC13A5CYP1A2CYP2D6
SCHEMBL28097057 0.83 CYP2C19 (0.33) CYP2C19HIF1AKCNN4KCNH2MRGPRX2
SCHEMBL6420340 0.81 CYP2C19 (0.42) CYP2C19HIF1ASLC13A5CYP1A2CYP2D6
SCHEMBL8107357 0.79 ALDH1A1 (0.48) CYP2C19HIF1ACYP2D6KDM4ELMNA
SCHEMBL28041671 0.79 CYP2C19 (0.34) CYP2C19HIF1ACYP1A2CYP2D6KCNH2
SCHEMBL7607187 0.79 CYP2C19 (0.42) CYP2C19HIF1ACYP1A2CYP2D6MEN1
SCHEMBL9728575 0.78 ALDH1A1 (0.46) CYP2C19HIF1ACYP2D6ALDH1A1TSHR
SCHEMBL14164382 0.78 ALDH1A1 (0.46) CYP2C19HIF1ACYP2D6ALDH1A1TSHR

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-1165577-C Copolymer containing reactive silyl groups, composition containing same and method of treating with same 株式会社资生堂 2004-09-08 CN disclosed
CN-1234817-A Copolymer containing reactive silyl groups, composition containing same and method of treating with same SHISEIIDO CO LTD (JP) 1999-11-10 CN disclosed