SCHEMBL6131933

SCHEMBL6131933

COC(=O)c1c2c(c3cc(OC)c(N4CCCCC4)cc3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.34
GAA P10253 4/20 0.34
HTR1A P08908 1/20 0.34
ADRA2A P08913 1/20 0.34
DRD2 P14416 1/20 0.34
DRD1 P21728 1/20 0.34
DRD4 P21917 1/20 0.34
DRD5 P21918 1/20 0.34
HTR2A P28223 1/20 0.34
ADRA1A P35348 1/20 0.34
DRD3 P35462 1/20 0.34
MEN1 O00255 3/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
NPSR1 Q6W5P4 2/20 0.34
KDM4E B2RXH2 2/20 0.34
HTT P42858 1/20 0.34
ALDH1A1 P00352 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
HPGD P15428 1/20 0.34

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
SCHEMBL6131993 0.93 ALDH1A1 (0.36) KMT2AGAAMEN1SMN1; SMN2NPSR1
SCHEMBL6131950 0.88 L3MBTL1 (0.41) KMT2ASMN1; SMN2ALDH1A1LMNATP53
SCHEMBL6169985 0.82 L3MBTL1 (0.43) SMN1; SMN2KDM4EHTTALDH1A1LMNA
SCHEMBL1186953 0.80 MEN1 (0.31) KMT2AMEN1SMN1; SMN2NPSR1HTT
SCHEMBL6131970 0.80 L3MBTL1 (0.45) KMT2AKDM4EALDH1A1LMNAMAPT
SCHEMBL5107968 0.80 MAPK8 (0.41) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL5107921 0.79 L3MBTL1 (0.40) KMT2AMEN1SMN1; SMN2KDM4EHTT
SCHEMBL13988310 0.79 SLC6A3 (0.31)
SCHEMBL6131971 0.78 L3MBTL1 (0.41) KMT2AGAAALDH1A1LMNAMAPT
SCHEMBL18099435 0.78 USP2 (0.32) KMT2AGAAHTR1AMEN1SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP claimed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US claimed
US-10758643-B2 Mechanophoric medical product AESCULAP AG (DE) 2020-09-01 US disclosed
EP-3331581-B1 MECHANOPHORIC MEDICAL PRODUKT AESCULAP AG (DE) 2020-07-08 EP disclosed
US-20190151502-A1 Mechanophoric Medical Product AESCULAP AG (DE) 2019-05-23 US disclosed
EP-3331581-A1 MECHANOPHORIC MEDICAL PRODUCT Aesculap AG (DE) 2018-06-13 EP disclosed
WO-2017025408-A1 MECHANOPHORIC MEDICAL PRODUCT AESCULAP AG (DE) 2017-02-16 WO disclosed
EP-1214310-B1 NOVEL PHOTOCHROMIC NAPHTHOPYRANS TRANSITIONS OPTICAL INC (US) 2005-04-27 EP disclosed
US-6348604-B1 COMPOUNDS IN WHICH SELECTION AND PLACEMENT OF SUBSTITUENTS CONTROL WAVELENGTH AND/OR INTENSITY OF VISIBLE ABSORBANCE BANDS PPG INDUSTRIES OHIO, INC. 2002-02-19 US disclosed