SCHEMBL28587372

SCHEMBL28587372

O=C(O)c1sccc1CCCc1ccccc1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 11/20 0.62
PTPRC P08575 1/20 0.50
HDAC3 O15379 1/20 0.46
MAPK1 P28482 1/20 0.46
ADRA1A P35348 1/20 0.46
HDAC4 P56524 1/20 0.46
SLC6A3 Q01959 1/20 0.46
HDAC1 Q13547 1/20 0.46
SMN1; SMN2 Q16637 1/20 0.46
HDAC7 Q8WUI4 1/20 0.46
HDAC2 Q92769 1/20 0.46
HDAC10 Q969S8 1/20 0.46
HDAC11 Q96DB2 1/20 0.46
HDAC8 Q9BY41 1/20 0.46
HDAC6 Q9UBN7 1/20 0.46
HDAC9 Q9UKV0 1/20 0.46
HDAC5 Q9UQL6 1/20 0.46
PLA2G4A P47712 1/20 0.46
BID P55957 1/20 0.45
BCL2L1 Q07817 1/20 0.45

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
SCHEMBL13098618 0.83 LTB4R (0.56) LTB4RSMN1; SMN2CES1NPC1
SCHEMBL8676795 0.82 PTGER1 (0.63) LTB4RPTPRCPTGER1PTGER4PTGER3
SCHEMBL15877228 0.81 PTPRC (0.54) LTB4RPTPRCBCL2L1
SCHEMBL5323308 0.81 LTB4R (0.41) LTB4RPTPRCMAPK1
SCHEMBL27675976 0.79 GPR35 (0.49) LTB4RBIDBCL2L1MCL1BAK1
SCHEMBL28345653 0.79 TSHR (0.41) LTB4RPTPRC
SCHEMBL4371004 0.78 LTB4R (0.44) LTB4RPTPRC
SCHEMBL30544 0.78 GPR35 (0.55) LTB4RBIDBCL2L1MCL1BAK1
SCHEMBL16807890 0.77 MAPK8 (0.52) LTB4RPTPRCSMN1; SMN2DAORXFP1
SCHEMBL17353545 0.77 GPR35 (0.57) LTB4RBIDBCL2L1MCL1BAK1

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-108840864-B Preparation method and application of tacrine-heterocyclic conjugate 中国医学科学院生物医学工程研究所 2021-07-27 CN disclosed