SCHEMBL29080910

SCHEMBL29080910

CC1(C(F)C(F)F)OCc2cnc(C(=O)O)cc21

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
RIPK1 Q13546 2/20 0.46
ASPH Q12797 2/20 0.35
KDM4E B2RXH2 2/20 0.35
KDM8 Q8N371 1/20 0.35
POLB P06746 1/20 0.34
ALDH1A1 P00352 1/20 0.31
ALOX15 P16050 1/20 0.31
TSHR P16473 1/20 0.31
HSD17B10 Q99714 1/20 0.31
RXRA P19793 2/20 0.31
RXRB P28702 2/20 0.31
RXRG P48443 2/20 0.31
MAPT P10636 1/20 0.31
KMT2A Q03164 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
SCHEMBL29080908 0.86 RIPK1 (0.44) RIPK1KDM4EALDH1A1HSD17B10MAPT
SCHEMBL18365947 0.80 RIPK1 (0.46) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL30587542 0.80 RIPK1 (0.46) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL18365949 0.78 RIPK1 (0.67) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL30014107 0.78 RIPK1 (0.67) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL30587490 0.78 RIPK1 (0.67) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL30092753 0.78 RIPK1 (0.67) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL19641479 0.78 RIPK1 (0.67) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL19641488 0.78 RIPK1 (0.67) RIPK1ASPHKDM4EKDM8POLB
SCHEMBL18367366 0.77 RIPK1 (0.45) RIPK1ASPHKDM4EKDM8POLB

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-111269221-B Bicyclic lactams and methods of use thereof 豪夫迈·罗氏有限公司 2023-09-26 CN disclosed