SCHEMBL28052307

SCHEMBL28052307

C=Cc1cccc(C(C)(C)C)c1Cc1cccs1

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.33
ALOX5 P09917 5/20 0.33
PTGS1 P23219 5/20 0.33
PTGS2 P35354 5/20 0.33
ALOX12 P18054 2/20 0.32
RAB9A P51151 2/20 0.31
ADRA1D P25100 2/20 0.31
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC1 Q13547 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
HTT P42858 1/20 0.31
RIPK1 Q13546 1/20 0.31
TDP1 Q9NUW8 1/20 0.31
TSHR P16473 1/20 0.31
NPC1 O15118 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28052348 0.81 POLB (0.39) PTGS1PTGS2ALOX12RAB9AADRA1D
SCHEMBL28052264 0.77 CYP3A4 (0.42) RAB9ALMNAMAPTHTTTDP1
SCHEMBL28052144 0.76 TAAR1 (0.33) ALOX5PTGS1PTGS2RAB9AADRA1D
SCHEMBL22804518 0.73 ALOX12 (0.38) CA2ALOX12TDP1TSHR
SCHEMBL14760975 0.73 ALOX12 (0.38) CA2ALOX12TDP1TSHR
SCHEMBL15524808 0.73 ALOX12 (0.38) CA2ALOX12TDP1TSHR
SCHEMBL15524568 0.72 ALOX12 (0.37) CA2ALOX12TDP1TSHR
SCHEMBL15523822 0.71 ALOX12 (0.36) CA2ALOX12
SCHEMBL1408676 0.70 CYP2C9 (0.41) RAB9AADRA1DTAAR1LMNAHTT
SCHEMBL8322402 0.70 ALOX12 (0.35) CA2ALOX12

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-105315181-A Synthetic method for sulfo trisubstituted alkenes compound UNIV HUNAN 2016-02-10 CN disclosed