SCHEMBL8669584

SCHEMBL8669584

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

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKR1C2 P52895 5/20 0.44
▸ TRPV1 Q8NER1 1/20 0.42
▸ PDGFRB P09619 2/20 0.40
▸ FGFR1 P11362 2/20 0.40
▸ KDR P35968 2/20 0.40
▸ MTNR1A P48039 2/20 0.39
▸ MTNR1B P49286 2/20 0.39
▸ PTGS1 P23219 5/20 0.39
▸ PTGS2 P35354 2/20 0.39
▸ GLO1 Q04760 2/20 0.39
▸ HIF1A Q16665 2/20 0.39
▸ HTR1A P08908 1/20 0.39
▸ PKM P14618 1/20 0.39
▸ PIKFYVE Q9Y2I7 1/20 0.39
▸ PTPN5 P54829 1/20 0.39
▸ AKR1C3 P42330 4/20 0.38
▸ PPARG P37231 3/20 0.38
▸ AKR1C4 P17516 3/20 0.38
▸ AR P10275 2/20 0.38
▸ AKR1C1 Q04828 2/20 0.38

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
SCHEMBL5305951 0.81 AKR1C2 (0.49) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL4562595 0.78 AKR1C2 (0.48) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL11021014 0.75 TRPV1 (0.46) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8796396 0.72 TRPV1 (0.46) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8978361 0.70 TRPV1 (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL8978296 0.70 PDGFRB (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL25260242 0.69 ALDH1A1 (0.58) AKR1C2PDGFRBFGFR1KDRMTNR1A
SCHEMBL10637946 0.69 PIKFYVE (0.42) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL10634943 0.69 TRPV1 (0.43) AKR1C2TRPV1PDGFRBFGFR1KDR
SCHEMBL11832981 0.69 TRPV1 (0.51) AKR1C2TRPV1PDGFRBFGFR1KDR

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-5750558-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS ABBOTT LABORATORIES (US) 1998-05-12 — — US disclosed
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