SCHEMBL8842436

SCHEMBL8842436

CCC(CC)=C(OC)c1cc(C)c(C)cc1[N+](=O)[O-]

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RECQL P46063 1/20 0.45
▸ HTT P42858 3/20 0.41
▸ PDGFRB P09619 1/20 0.41
▸ FGFR1 P11362 1/20 0.41
▸ PDGFRA P16234 1/20 0.41
▸ FLT1 P17948 1/20 0.41
▸ FGFR3 P22607 1/20 0.41
▸ KDR P35968 1/20 0.41
▸ LMNA P02545 4/20 0.38
▸ ALDH1A1 P00352 3/20 0.38
▸ POLB P06746 2/20 0.38
▸ HSP90AA1 P07900 2/20 0.38
▸ HPGD P15428 2/20 0.38
▸ CCR6 P51684 2/20 0.38
▸ NPSR1 Q6W5P4 2/20 0.38
▸ SMN1; SMN2 Q16637 2/20 0.38
▸ GALR2 O43603 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ TP53 P04637 1/20 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
SCHEMBL8842439 0.78 RECQL (0.44) RECQLHTTPDGFRBFGFR1PDGFRA
SCHEMBL12604704 0.76 PDGFRB (0.56) RECQLHTTPDGFRBFGFR1PDGFRA
SCHEMBL27474529 0.73 ALDH1A1 (0.57) RECQLHTTPDGFRBFGFR1PDGFRA
SCHEMBL4333646 0.70 HTT (0.47) RECQLHTTPDGFRBFGFR1PDGFRA
SCHEMBL13483711 0.70 TSHR (0.44) RECQLHTTLMNAALDH1A1HSP90AA1
SCHEMBL8137115 0.70 TSHR (0.53) HTTALDH1A1POLBHSP90AA1HPGD
SCHEMBL4333642 0.69 PDGFRB (0.49) RECQLHTTPDGFRBFGFR1PDGFRA
SCHEMBL8136193 0.69 RECQL (0.44) RECQLHTTLMNAALDH1A1POLB
SCHEMBL8135018 0.69 LMNA (0.42) HTTLMNAALDH1A1POLBHPGD
SCHEMBL8135022 0.69 LMNA (0.42) HTTLMNAALDH1A1POLBHPGD

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-5688803-A BRAIN DISORDERS; PSYCHOLOGICAL DISORDERS HOFFMANN-LA ROCHE INC. (US) 1997-11-18 — — US disclosed
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