SCHEMBL8338935

SCHEMBL8338935

CC=C(C(=O)Oc1cccc(Oc2cccc(C#N)c2)c1)c1ccccc1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 1/20 0.44
P4HB P07237 1/20 0.43
MGLL Q99685 8/20 0.42
PRSS1 P07477 1/20 0.42
ACR P10323 1/20 0.42
HDAC8 Q9BY41 1/20 0.41
ALOX5 P09917 1/20 0.40
GRM5 P41594 1/20 0.39
RECQL P46063 1/20 0.39
TLR4 O00206 1/20 0.39
TLR2 O60603 1/20 0.39
PGR P06401 1/20 0.39

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
SCHEMBL8338939 0.78 P4HB (0.42) AKR1C3P4HBHDAC8ALOX5GRM5
SCHEMBL8338930 0.78 P4HB (0.42) AKR1C3P4HBHDAC8ALOX5GRM5
SCHEMBL2107654 0.78 MEN1 (0.57) AKR1C3TLR4TLR2PGR
SCHEMBL2852479 0.77 KDM4E (0.40) AKR1C3P4HBALOX5PGR
SCHEMBL8580189 0.77 MGLL (0.54) P4HBMGLLPRSS1ACR
SCHEMBL2108452 0.77 GCK (0.45) AKR1C3
SCHEMBL2107666 0.76 KDM4E (0.62) MGLLALOX5TLR4TLR2
SCHEMBL28741088 0.76 PRSS1 (0.65) MGLLPRSS1ACR
SCHEMBL8511723 0.76 AKR1C3 (0.57) AKR1C3PRSS1ACRHDAC8GRM5
SCHEMBL8343387 0.75 KMT2A (0.44) AKR1C3HDAC8PGR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5925675-A N-sulfonyliminodithio compounds useful for in plant and material protection BAYER AKTIENGESELLSCHAFT (DE) 1999-07-20 US disclosed
US-5874025-A Timber preservative containing a copper compound BAYER AKTIENGESELLSCHAFT (DE) 1999-02-23 US disclosed
US-5767137-A FOR INDUSTRIAL MATERIALS BAYER AKTIENGESELLSCHAFT (DE) 1998-06-16 US disclosed
US-5703103-A MICROBIOCIDES BAYER AKTIENGESELLSCHAFT (DE) 1997-12-30 US disclosed
US-5672617-A Medicaments containing 1-thiocarbamoyl-5-hydroxy-pyrazoles and their use as agents for combating septic shock BAYER AKTIENGESELLSCHAFT (DE) 1997-09-30 US disclosed