SCHEMBL28040972

SCHEMBL28040972

COC(=O)[C@@](O)(Br)Cc1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTPN1 P18031 4/20 0.50
PTPRB P23467 3/20 0.50
PTPN2 P17706 2/20 0.50
PTPRA P18433 1/20 0.50
SRC P12931 1/20 0.49
KCNN4 O15554 1/20 0.48
CTRB1 P17538 1/20 0.48
MEN1 O00255 1/20 0.47
KMT2A Q03164 1/20 0.47
ALDH1A1 P00352 2/20 0.46
MMP8 P22894 2/20 0.46
RECQL P46063 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.44
HIF1A Q16665 1/20 0.44
TSHR P16473 1/20 0.43
FDPS P14324 1/20 0.43
MMP1 P03956 2/20 0.43
MMP13 P45452 2/20 0.43
MMP9 P14780 1/20 0.43
CYP2C9 P11712 2/20 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
SCHEMBL4166692 0.83 PTPN1 (0.51) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL29277132 0.83 PTPN1 (0.51) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL14518077 0.83 PTPN1 (0.51) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL19995356 0.83 PTPN1 (0.51) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL4008616 0.81 MMP8 (0.50) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL28294369 0.81 MMP8 (0.50) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL11175367 0.81 PTPRB (0.69) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL10062549 0.81 PTPN1 (0.47) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL10881439 0.80 KCNN4 (0.56) PTPN1PTPRBPTPN2PTPRASRC
SCHEMBL4012727 0.80 KCNN4 (0.56) PTPN1PTPRBPTPN2PTPRASRC

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105087682-A Method for biologically producing (S)-hydroxyl bromophenyl methyl propionate UNIV QINGDAO SCIENCE & TECHNOLOGY 2015-11-25 CN disclosed