SCHEMBL22002870

SCHEMBL22002870

C=C(/C=C\CC)N(c1ccccc1)c1ccccc1

nearest known ligand 0.38

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ NPSR1 Q6W5P4 2/20 0.38
▸ TRPM8 Q7Z2W7 3/20 0.37
▸ ALDH1A1 P00352 5/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ TSHR P16473 2/20 0.36
▸ NPC1 O15118 2/20 0.36
▸ POLB P06746 1/20 0.36
▸ HTT P42858 1/20 0.36
▸ RAB9A P51151 1/20 0.36
▸ GLA P06280 1/20 0.36
▸ L3MBTL1 Q9Y468 2/20 0.34
▸ MEN1 O00255 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HPGD P15428 1/20 0.34
▸ EGFR P00533 2/20 0.33
▸ TP53 P04637 1/20 0.33

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
SCHEMBL23254234 0.85 TSHR (0.36) ALDH1A1KMT2ATSHRNPC1GLA
SCHEMBL21913825 0.84 FAAH (0.39) ALDH1A1KMT2ATSHRNPC1POLB
SCHEMBL18814886 0.82 ALDH1A1 (0.50) TRPM8ALDH1A1KMT2ATSHRHTT
SCHEMBL25458071 0.75 CYP2D6 (0.36) ALDH1A1NPC1RAB9AL3MBTL1
SCHEMBL21301180 0.75 ALDH1A1 (0.46) TRPM8ALDH1A1KMT2ATSHRHTT
SCHEMBL22643654 0.74 NPSR1 (0.38) NPSR1TRPM8ALDH1A1KMT2ANPC1
SCHEMBL21374077 0.74 NPSR1 (0.34) NPSR1TRPM8ALDH1A1KMT2ATSHR
SCHEMBL13119958 0.73 NPSR1 (0.40) NPSR1TRPM8ALDH1A1KMT2ATSHR
SCHEMBL27605144 0.73 TRPM8 (0.61) NPSR1TRPM8ALDH1A1KMT2ANPC1
SCHEMBL25733615 0.73 ALDH1A1 (0.36) NPSR1TRPM8ALDH1A1KMT2AL3MBTL1

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
US-10654967-B2 Polymer compound and light-emitting element using same SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2020-05-19 — — US disclosed
Send feedback