SCHEMBL22268682

SCHEMBL22268682

C=CCCCCCCCC=C=CCCCCCCOCCN

nearest known ligand 0.38

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
LPAR3 Q9UBY5 2/20 0.37
LPAR2 Q9HBW0 1/20 0.37
TSHR P16473 1/20 0.33
TRPA1 O75762 1/20 0.32
ADORA1 P30542 1/20 0.31
ALDH1A1 P00352 2/20 0.30
LMNA P02545 1/20 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
SCHEMBL25113324 0.89 LPAR3 (0.44) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL3786970 0.87 LPAR3 (0.42) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL13345367 0.87 LPAR3 (0.41) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL22268773 0.79 TSHR (0.37) LPAR3LPAR2TSHRALDH1A1LMNA
SCHEMBL19619508 0.78 ALDH1A1 (0.35) LPAR3LPAR2TSHRADORA1ALDH1A1
SCHEMBL891891 0.78 LPAR3 (0.52) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL2026655 0.78 LPAR3 (0.52) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL2027305 0.78 LPAR3 (0.52) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL2022487 0.78 LPAR3 (0.52) LPAR3LPAR2TSHRTRPA1ADORA1
SCHEMBL2026917 0.78 LPAR3 (0.52) LPAR3LPAR2TSHRTRPA1ADORA1

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-3331895-B1 PYRROLOPYRIMIDINE NUCLEOSIDES AND ANALOGS THEREOF USEFUL AS ANTIVIRAL AGENTS CHIMERIX INC (US) 2020-07-29 EP disclosed