SCHEMBL3196971

SCHEMBL3196971

CC(NC(=O)C(F)(F)F)c1ccc(C(=O)O)cc1

nearest known ligand 0.59

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
NR1H4 Q96RI1 1/20 0.59
CNR1 P21554 1/20 0.47
NPC1 O15118 1/20 0.46
PTGER4 P35408 5/20 0.46
PTGER2 P43116 2/20 0.46
PHGDH O43175 4/20 0.45
HDAC3 O15379 2/20 0.43
HDAC4 P56524 2/20 0.43
HDAC1 Q13547 2/20 0.43
HDAC6 Q9UBN7 2/20 0.43
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
ACACB O00763 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43

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
SCHEMBL28413213 1.00 NR1H4 (0.59) NR1H4CNR1NPC1PTGER4PTGER2
SCHEMBL22499610 0.84 MEN1 (0.58) NPC1HDAC3HDAC4HDAC1HDAC6
SCHEMBL14040888 0.84 MEN1 (0.58) NPC1HDAC3HDAC4HDAC1HDAC6
SCHEMBL5219016 0.84 MEN1 (0.58) NPC1HDAC3HDAC4HDAC1HDAC6
SCHEMBL4511424 0.84 CNR1 (0.51) NR1H4CNR1NPC1KMT2AACACB
SCHEMBL21932297 0.84 CNR1 (0.51) NR1H4CNR1NPC1KMT2AACACB
SCHEMBL21932490 0.84 CNR1 (0.51) NR1H4CNR1NPC1KMT2AACACB
SCHEMBL21399858 0.83 CNR1 (0.49) NR1H4CNR1HDAC3HDAC4HDAC1
SCHEMBL3652541 0.82 NR1H4 (0.61) NR1H4NPC1PTGER4PTGER2PHGDH
SCHEMBL958778 0.81 SMN1; SMN2 (0.55) CNR1SMN1; SMN2ALDH1A1LMNA

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
CN-111132972-B Small molecule modulators of human STING 克拉德夫制药有限公司 2024-07-12 CN disclosed
CN-111132972-A Small molecule modulators of human STING 克拉德夫制药有限公司 2020-05-08 CN disclosed
US-RE46683-E1 Nucleic acid terminators incorporating a cationic moiety and methods for their use APPLIED BIOSYSTEMS, LLC (US) 2018-01-23 US disclosed
US-8389699-B2 Nucleic acid terminators incorporating a cationic moiety and methods for their use APPLIED BIOSYSTEMS, LLC (US) 2013-03-05 US disclosed
US-20100035326-A1 Nucleic Acid Terminators Incorporating a Cationic Moiety and Methods for Their Use Life Technologies Corporation (US) 2010-02-11 US disclosed