SCHEMBL8400487

SCHEMBL8400487

N#CC(=Cc1ccc(Cl)cc1)c1ccc(O)c(O)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 2/20 0.56
ESR2 Q92731 2/20 0.56
MAPT P10636 6/20 0.50
CYP1A2 P05177 4/20 0.50
ALDH1A1 P00352 3/20 0.50
CYP3A4 P08684 3/20 0.50
HPGD P15428 3/20 0.50
CYP2D6 P10635 3/20 0.50
CYP2C9 P11712 3/20 0.50
CYP2C19 P33261 3/20 0.50
HTT P42858 2/20 0.50
NPSR1 Q6W5P4 1/20 0.50
EGFR P00533 7/20 0.49
MEN1 O00255 4/20 0.49
KMT2A Q03164 4/20 0.49
KDM4E B2RXH2 4/20 0.49
BLM P54132 3/20 0.49
ERBB2 P04626 3/20 0.49
LMNA P02545 2/20 0.49
TP53 P04637 2/20 0.49

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
SCHEMBL8400486 1.00 ESR1 (0.56) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL8397481 0.91 ALDH1A1 (0.56) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL8397482 0.91 ALDH1A1 (0.56) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL8397484 0.87 EGFR (0.62) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL9280711 0.86 ESR1 (0.53) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL13485321 0.85 ESR1 (0.69) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL8401367 0.84 EGFR (0.58) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL9241983 0.84 ESR1 (0.56) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL8398968 0.84 ESR1 (0.56) ESR1ESR2MAPTCYP1A2ALDH1A1
SCHEMBL8400499 0.84 EGFR (0.58) ESR1ESR2MAPTCYP1A2ALDH1A1

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-0640586-B1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO LTD (JP) 1999-06-09 EP disclosed
US-5589506-A ENZYME INHIBITORS FOR LIPOXYGENASE MORINAGA MILK INDUSTRY CO., LTD. (JP) 1996-12-31 US disclosed
EP-0640586-A1 STILBENE DERIVATIVE AND STILBENE ANALOG DERIVATIVE, AND USE THEREOF MORINAGA MILK INDUSTRY CO., LTD. (JP) 1995-03-01 EP disclosed