SCHEMBL9788952

SCHEMBL9788952

CCCCc1ccccc1/C=C/C(=O)S

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER3 P43115 5/20 0.43
PTGER2 P43116 5/20 0.43
PTGER4 P35408 4/20 0.43
IAPP P10997 2/20 0.42
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
THRA P10827 1/20 0.40
THRB P10828 1/20 0.40
LIPG Q9Y5X9 1/20 0.39
TBXA2R P21731 1/20 0.39
PTGDR Q13258 1/20 0.39
CYSLTR2 Q9NS75 5/20 0.38
CYSLTR1 Q9Y271 5/20 0.38
RAB9A P51151 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
PTGER1 P34995 1/20 0.37
BID P55957 1/20 0.37
BCL2L1 Q07817 1/20 0.37
MCL1 Q07820 1/20 0.37

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
SCHEMBL8702148 0.86 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL7530108 0.86 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL1542126 0.86 PTGER3 (0.56) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL9725168 0.86 LMNA (0.53) PTGER3PTGER2PTGER4IAPPCYP3A4
Alcohol SCHEMBL17474327 0.83 PTGER3 (0.55) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL2989498 0.82 MAPT (0.52) PTGER3PTGER2PTGER4CYP3A4RAB9A
SCHEMBL2855099 0.82 GSR (0.53) PTGER3PTGER2PTGER4IAPPCYP3A4
SCHEMBL16339260 0.81 PTGER3 (0.55) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL16339259 0.81 PTGER3 (0.55) PTGER3PTGER2PTGER4TBXA2RPTGDR
SCHEMBL9791087 0.81 PTGER4 (0.41) PTGER3PTGER2PTGER4IAPP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-3287137-A None JP disclosed
JP-H03287137-A ORGANIC NONLINEAR OPTICAL MATERIAL SEKISUI CHEM CO LTD 1991-12-17 JP disclosed
US-5028629-A 2-(Substituted)-N-Hydroxy-N-Alkylcinnamamides ELI LILLY AND COMPANY (US) 1991-07-02 US disclosed