SCHEMBL28035672

SCHEMBL28035672

CC(C)(OC=O)c1cc(CBr)ccc1-c1ccccc1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
S1PR1 P21453 1/20 0.33
MEN1 O00255 2/20 0.33
KMT2A Q03164 2/20 0.33
GAA P10253 1/20 0.33
FOLH1 Q04609 1/20 0.32
LTB4R Q15722 2/20 0.32
LTB4R2 Q9NPC1 2/20 0.32
TDP1 Q9NUW8 1/20 0.32
GSTP1 P09211 1/20 0.31
CSNK2A1 P68400 2/20 0.31
MMP2 P08253 1/20 0.31
ALDH1A1 P00352 3/20 0.31
TRPA1 O75762 1/20 0.31
TSHR P16473 1/20 0.31
RORC P51449 1/20 0.31
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
TACR1 P25103 1/20 0.30
CES2 O00748 1/20 0.30
CES1 P23141 1/20 0.30

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
SCHEMBL28035600 0.86 CSNK2A1 (0.34) S1PR1MEN1KMT2AGAAFOLH1
Tert-Butyl Formate SCHEMBL27502194 0.78 TDP1 (0.43) GAATDP1ALDH1A1TRPA1TSHR
SCHEMBL28035602 0.78 TDP1 (0.41) MEN1KMT2ATDP1ALDH1A1MAPT
SCHEMBL28096773 0.70 FFAR1 (0.38) FOLH1GSTP1CSNK2A1ALDH1A1TRPA1
Formic Acid SCHEMBL28479997 0.70 ESR2 (0.49) MEN1KMT2AGAAFOLH1MMP2
SCHEMBL1373277 0.69 ALDH1A1 (0.48) FOLH1GSTP1CSNK2A1ALDH1A1TRPA1
SCHEMBL27687098 0.69 GSTP1 (0.35) FOLH1LTB4RLTB4R2GSTP1CSNK2A1
SCHEMBL4664590 0.68 ALDH1A1 (0.41) KMT2AFOLH1LTB4R2CSNK2A1MMP2
Biphenyl SCHEMBL27794837 0.68 TDP1 (0.62) GAATDP1ALDH1A1TSHRLMNA
SCHEMBL12050458 0.68 ESR2 (0.53) MEN1KMT2AGAAFOLH1CSNK2A1

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-105330541-B The synthetic method of the alkyl formate of 4 ' halogenated methyl biphenyl 2 常州博世伟业生物科技有限公司 2017-09-12 CN disclosed
CN-105330541-A Synthesis method of 4'-halogenated methylbiphenyl-2-formic aid alkyl ester CHANGZHOU BOSHI WEIYE BIOTECHNOLOGY CO LTD 2016-02-17 CN disclosed