SCHEMBL22679808

SCHEMBL22679808

N[C@@H](CCCNC(=O)C(F)(F)F)C(=O)O

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.59
POLB P06746 1/20 0.59
SMN1; SMN2 Q16637 1/20 0.59
MEN1 O00255 1/20 0.57
KMT2A Q03164 1/20 0.57
OTC P00480 1/20 0.53
CA3 P07451 2/20 0.52
CA5A P35218 2/20 0.52
CA5B Q9Y2D0 2/20 0.52
CA12 O43570 1/20 0.52
CA2 P00918 1/20 0.52
CA4 P22748 1/20 0.52
CA6 P23280 1/20 0.52
CA7 P43166 1/20 0.52
CA9 Q16790 1/20 0.52
CA14 Q9ULX7 1/20 0.52
EPHX1 P07099 1/20 0.49
DDAH1 O94760 2/20 0.46
GSR P00390 2/20 0.46
ARG2 P78540 4/20 0.42

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
SCHEMBL31296029 1.00 ALDH1A1 (0.59) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL23728668 0.98 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
Hydrochloric Acid SCHEMBL23728666 0.98 ALDH1A1 (0.57) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL1604188 0.95 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL6033129 0.95 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL875166 0.95 ALDH1A1 (0.62) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
SCHEMBL7322492 0.85 ALDH1A1 (0.50) ALDH1A1POLBSMN1; SMN2MEN1KMT2A
L-Citrulline SCHEMBL29848159 0.83 OTC (0.50) MEN1KMT2AOTCDDAH1GSR
SCHEMBL10658149 0.82 OTC (0.53) POLBMEN1KMT2AOTCDDAH1
SCHEMBL10420276 0.81 ALDH1A1 (0.53) ALDH1A1POLBSMN1; SMN2MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4425181-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE Bertis Inc (KR) 2024-09-04 EP disclosed
US-20240011979-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS INC. (KR) 2024-01-11 US disclosed
CN-116829949-A Compositions for detecting or measuring analytes 伯蒂斯有限公司 2023-09-29 CN disclosed
WO-2023149528-A1 HIGH MOLECULAR MICELLES INCLUDING NOVEL BLOCK COPOLYMER 株式会社ブレイゾン・セラピューティクス 2023-08-10 WO disclosed
WO-2023075435-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE 주식회사 베르티스 2023-05-04 WO disclosed
US-20220283131-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTES BERTIS CO., LTD. (KR) 2022-09-08 US disclosed
WO-2022050529-A1 COMPOSITION FOR DETECTING OR MEASURING ANALYTE ㈜베르티스 2022-03-10 WO disclosed
WO-2020230867-A1 STABILIZED PACAP PEPTIDE 千寿製薬株式会社 2020-11-19 WO disclosed