SCHEMBL6131993

SCHEMBL6131993

COC(=O)c1c2c(c3cc(OC)c(N4CCOCC4)cc3c1-c1ccccc1)OC(c1ccc(OC)cc1)(c1ccc(OC)cc1)C=C2

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.36
KDM4E B2RXH2 5/20 0.36
TSHR P16473 3/20 0.36
HPGD P15428 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
GAA P10253 2/20 0.36
LMNA P02545 1/20 0.36
NPSR1 Q6W5P4 1/20 0.36
DGAT1 O75907 1/20 0.36
SOAT1 P35610 1/20 0.36
HSD17B10 Q99714 4/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
TP53 P04637 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
POLB P06746 1/20 0.36
MAPT P10636 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
NPC1 O15118 1/20 0.34
MAPK1 P28482 2/20 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
SCHEMBL6131933 0.93 KMT2A (0.34) ALDH1A1KDM4EHPGDL3MBTL1GAA
SCHEMBL6131950 0.88 L3MBTL1 (0.41) ALDH1A1TSHRL3MBTL1LMNAKMT2A
SCHEMBL8919915 0.83 MEN1 (0.38) ALDH1A1KDM4ETSHRHPGDL3MBTL1
SCHEMBL7469925 0.82 LMNA (0.38) ALDH1A1KDM4ETSHRHPGDL3MBTL1
SCHEMBL6169985 0.81 L3MBTL1 (0.43) ALDH1A1KDM4EHPGDL3MBTL1LMNA
SCHEMBL4597892 0.81 ALDH1A1 (0.39) ALDH1A1KDM4ETSHRHPGDL3MBTL1
SCHEMBL25606356 0.80 PRKDC (0.35) ALDH1A1KDM4ETSHRLMNADGAT1
SCHEMBL25716576 0.80 EGFR (0.31) MEN1KMT2APOLB
SCHEMBL25605054 0.79 ATM (0.32) ALDH1A1KDM4ETSHRHPGDL3MBTL1
SCHEMBL6131970 0.79 L3MBTL1 (0.45) ALDH1A1KDM4EHPGDL3MBTL1LMNA

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 8 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-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