SCHEMBL8796396

SCHEMBL8796396

COc1ccc2[nH]c(C)c(C(C(=O)OC(C)(C)C)C(=O)c3ccc(Cl)cc3)c2c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ TRPV1 Q8NER1 1/20 0.46
▸ PDGFRB P09619 2/20 0.44
▸ FGFR1 P11362 2/20 0.44
▸ KDR P35968 2/20 0.44
▸ AKR1C2 P52895 2/20 0.42
▸ PIKFYVE Q9Y2I7 1/20 0.40
▸ ALDH1A1 P00352 3/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ KDM4E B2RXH2 2/20 0.39
▸ MAPT P10636 2/20 0.39
▸ TSHR P16473 1/20 0.39
▸ GFER P55789 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ APOBEC3A P31941 1/20 0.39
▸ APOBEC3G Q9HC16 1/20 0.39
▸ RAB9A P51151 2/20 0.39
▸ HDAC1 Q13547 1/20 0.39
▸ PTGS2 P35354 1/20 0.39
▸ NPC1 O15118 1/20 0.39

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
SCHEMBL4562595 0.86 AKR1C2 (0.48) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL5305951 0.86 AKR1C2 (0.49) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL8578419 0.81 TRPV1 (0.51) TRPV1AKR1C2PIKFYVEALDH1A1MEN1
SCHEMBL11021014 0.79 TRPV1 (0.46) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL8686345 0.78 TRPV1 (0.50) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL8978325 0.78 TRPV1 (0.42) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL8978361 0.77 TRPV1 (0.42) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL8978296 0.76 PDGFRB (0.42) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL10637946 0.75 PIKFYVE (0.42) TRPV1PDGFRBFGFR1KDRAKR1C2
SCHEMBL8594951 0.75 TRPV1 (0.42) TRPV1PDGFRBFGFR1KDRAKR1C2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0723442-A4 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS INC (US) 1997-06-11 — — EP disclosed
EP-0723442-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-07-31 — — EP disclosed
WO-1996003987-A1 LACTONE COMPOUNDS FOR TREATING PATIENTS WITH PRECANCEROUS LESIONS CELL PATHWAYS, INC. (US) 1996-02-15 — — WO disclosed
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