SCHEMBL8843145

SCHEMBL8843145

CCC(NC(=O)C(F)(F)F)C(CO)(CO)C(CC)NC(=O)C(F)(F)F

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.35
ALDH1A1 P00352 1/20 0.33
POLB P06746 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
CA2 P00918 1/20 0.33
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
ESR1 P03372 1/20 0.31
KCNH2 Q12809 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
SCHEMBL24380351 0.80 EPHX1 (0.41) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL18358245 0.78 EPHX1 (0.36) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL28529368 0.76 CA2 (0.36) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL28529367 0.76 CA2 (0.36) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL28534168 0.76 EPHX1 (0.34) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL28534167 0.76 EPHX1 (0.34) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL9344459 0.71 SMN1; SMN2 (0.47) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL865616 0.71 EPHX1 (0.39) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL31496034 0.71 ESR1 (0.44) EPHX1ALDH1A1POLBSMN1; SMN2CA2
SCHEMBL8060275 0.71 ESR1 (0.44) EPHX1ALDH1A1POLBSMN1; SMN2CA2

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-115942939-A Diastereomer ligation reagents for nucleotide probes 布伦塔诺生物技术联合公司 2023-04-07 CN disclosed
WO-2021061154-A1 DIASTEREOMERIC LINKING REAGENTS FOR NUCLEOTIDE PROBES BRENTANO BIOTECHNOLOGY ASSOCIATES (US) 2021-04-01 WO disclosed
US-5696251-A OLIGONUCLEOTIDES GEN-PROBE INCORPORATED (US) 1997-12-09 US disclosed
US-5656744-A COMPLEXING GEN-PROBE INCORPORATED (US) 1997-08-12 US disclosed
US-5585481-A VERSATILITY; NON-NUCLEOTIDE MONOMERIC UNIT HAVING A LIGAND AND FIRST AND SECOND COUPLING GROUPS WHICH ARE LINKED TO THE NON-NUCLEOTIDE MONOMERIC UNIT ; LABELS, INTERCALATORS, PROBES GEN-PROBE INCORPORATED (US) 1996-12-17 US disclosed