SCHEMBL24371818

SCHEMBL24371818

CC1(C)OC2[C@H](O1)O[C@](CF)(COCc1ccccc1)[C@@H]2OCc1ccccc1

nearest known ligand 0.41

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
ALDH1A1 P00352 1/20 0.32
TAAR1 Q96RJ0 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
TACR1 P25103 1/20 0.30
GSTP1 P09211 2/20 0.30

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
SCHEMBL17958882 1.00 TSHR (0.33) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL31228273 1.00 TSHR (0.33) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL23818791 0.93 TSHR (0.36) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL20756272 0.89 TSHR (0.33) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL19221818 0.88 ALDH1A1 (0.37) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL24498686 0.88 ALDH1A1 (0.37) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL23906517 0.88 TSHR (0.33) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL21063154 0.88 ALDH1A1 (0.37) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL6838707 0.88 TSHR (0.33) TSHRALDH1A1TAAR1MEN1KMT2A
SCHEMBL25400218 0.88 TSHR (0.33) TSHRALDH1A1TAAR1MEN1KMT2A

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
EP-3043803-B1 NUCLEOTIDE AND NUCLEOSIDE COMPOSITIONS AND THEIR USES UNIV EMORY (US) 2022-04-27 EP disclosed