SCHEMBL7470036

SCHEMBL7470036

COC(=O)c1c(C(F)(F)F)[nH]c2c(OCc3ccccc3)cc3c(c12)C(CO)CN3C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
YAP1 P46937 2/20 0.34
TACR1 P25103 3/20 0.34
TLR9 Q9NR96 4/20 0.33
TLR7 Q9NYK1 2/20 0.33
HDAC1 Q13547 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
PAX8 Q06710 2/20 0.33
RORC P51449 2/20 0.32
ATM Q13315 1/20 0.32
GHSR Q92847 1/20 0.32
MEN1 O00255 1/20 0.32
MAPT P10636 1/20 0.32
KMT2A Q03164 1/20 0.32

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
SCHEMBL7470902 0.93 HDAC1 (0.34) YAP1TACR1TLR9TLR7HDAC1
SCHEMBL7460836 0.93 TACR1 (0.34) YAP1TACR1TLR9TLR7GHSR
SCHEMBL7463404 0.92 YAP1 (0.33) YAP1TACR1TLR9TLR7HDAC1
SCHEMBL7474754 0.86 TACR1 (0.33) YAP1TACR1TLR9TLR7GHSR
SCHEMBL7466465 0.85 TACR1 (0.32) YAP1TACR1TLR9TLR7GHSR
SCHEMBL9367604 0.82 YAP1 (0.35) YAP1TLR9TLR7HDAC1HDAC6
SCHEMBL7092620 0.78 SRD5A2 (0.42) YAP1TLR9TLR7GHSR
SCHEMBL7474530 0.77 ADH1A (0.34) HDAC1HDAC6
SCHEMBL6325760 0.77 TLR9 (0.40) YAP1TACR1TLR9TLR7GHSR
SCHEMBL1899359 0.77 TLR9 (0.40) YAP1TACR1TLR9TLR7GHSR

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
EP-0656360-B1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN SEIYAKU KK (JP) 2002-11-20 EP disclosed
US-5629430-A ANTICARCINOGENIC AGENTS KYORIN PHARMACEUTICAL CO., LTD. (JP) 1997-05-13 US disclosed
EP-0656360-A1 TRIFLUOROMETHYLPYRROLOINDOLE CARBOXYLIC ESTER DERIVATIVE AND PROCESS FOR PRODUCING THE SAME KYORIN PHARMACEUTICAL CO., LTD. (JP) 1995-06-07 EP disclosed