SCHEMBL7474754

SCHEMBL7474754

CC(C)(C)OC(=O)N1C[C@@H](CCl)c2c1cc(OCc1ccccc1)c1[nH]c(C(F)(F)F)c(C(=O)O)c21

nearest known ligand 0.33

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TACR1 P25103 3/20 0.33
TLR9 Q9NR96 3/20 0.33
TLR7 Q9NYK1 2/20 0.33
GHSR Q92847 2/20 0.33
YAP1 P46937 2/20 0.32
PRMT5 O14744 3/20 0.31
MEN1 O00255 2/20 0.31
MAPT P10636 2/20 0.31
KMT2A Q03164 2/20 0.31
HTR6 P50406 1/20 0.31
ADH1A P07327 1/20 0.31
KIT P10721 1/20 0.31
FLT1 P17948 1/20 0.31
FLT4 P35916 1/20 0.31
KDR P35968 1/20 0.31
ABL2 P42684 1/20 0.31
MRGPRX4 Q96LA9 1/20 0.31
ALDH1A1 P00352 1/20 0.31
POLB P06746 1/20 0.31
MAPK1 P28482 1/20 0.31

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) TACR1TLR9TLR7GHSRYAP1
SCHEMBL7460836 0.93 TACR1 (0.34) TACR1TLR9TLR7GHSRYAP1
SCHEMBL7466465 0.91 TACR1 (0.32) TACR1TLR9TLR7GHSRYAP1
SCHEMBL7470036 0.86 YAP1 (0.34) TACR1TLR9TLR7GHSRYAP1
SCHEMBL6851179 0.84 ADH1A (0.35) ADH1AKITFLT1FLT4KDR
SCHEMBL7463404 0.84 YAP1 (0.33) TACR1TLR9TLR7GHSRYAP1
SCHEMBL7464610 0.82
SCHEMBL16941959 0.82 TLR9 (0.34) TLR9TLR7GHSRYAP1MEN1
SCHEMBL7482550 0.82 TLR9 (0.34) TLR9TLR7GHSRYAP1MEN1
SCHEMBL6998368 0.82 SRD5A2 (0.41) TLR9TLR7GHSRYAP1PRMT5

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