SCHEMBL6480424

SCHEMBL6480424

COc1ccc(C2(c3ccc(N(C)C)cc3)C=Cc3c(CO)cc4c(F)cc(OC)cc4c3O2)cc1

nearest known ligand 0.32

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SLC2A1 P11166 1/20 0.32
EDNRB P24530 1/20 0.32
EDNRA P25101 1/20 0.32
CALM1 P0DP23 2/20 0.31
KDM4E B2RXH2 1/20 0.31
MEN1 O00255 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
CYP2C9 P11712 1/20 0.31
HPGD P15428 1/20 0.31
TSHR P16473 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
KMT2A Q03164 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HCRTR1 O43613 1/20 0.30
ATM Q13315 1/20 0.30
PRKCA P17252 2/20 0.30
PRKCE Q02156 2/20 0.30
RASGRP3 Q8IV61 2/20 0.30

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
SCHEMBL7568969 0.84 PTPN1 (0.34) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL18696159 0.78 MEN1 (0.31) MEN1KMT2A
SCHEMBL10102406 0.77 SLC2A1 (0.36) SLC2A1EDNRBEDNRACALM1KDM4E
SCHEMBL891177 0.77 MAPT (0.32) EDNRBEDNRAMEN1ALDH1A1LMNA
SCHEMBL6131956 0.76 SLC2A1 (0.35) SLC2A1CALM1KDM4EMEN1ALDH1A1
SCHEMBL10102271 0.74 MEN1 (0.34) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL7528138 0.73 MEN1 (0.33) SLC2A1CALM1KDM4EMEN1ALDH1A1
SCHEMBL10102268 0.73 SLC2A1 (0.36) SLC2A1EDNRBEDNRAKDM4EMEN1
SCHEMBL7569354 0.73 TDP1 (0.35) EDNRBEDNRAKDM4EMEN1ALDH1A1
SCHEMBL12952370 0.73 TDP1 (0.33) KDM4EMEN1ALDH1A1LMNACYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6863843-B2 Naphthopyran compounds, photoresponsive compositions and lenses VISION-EASE LENS, INC. (US) 2005-03-08 US disclosed
US-20020080451-A1 Novel naphthopyran compounds, photoresponsive compositions and lenses VISION-EASE LENS, INC. 2002-06-27 US disclosed