SCHEMBL18102198

SCHEMBL18102198

COc1ccc(C2(c3ccc(N4CCOCC4)cc3)C=Cc3c4c(c5cc(OC)ccc5c3O2)-c2ccc(-c3ccccc3)cc2C4(C)C)cc1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKDC P78527 3/20 0.36
ALDH1A1 P00352 5/20 0.35
KDM4E B2RXH2 4/20 0.35
TSHR P16473 4/20 0.35
HSD17B10 Q99714 3/20 0.35
TDP1 Q9NUW8 2/20 0.35
TP53 P04637 1/20 0.35
AKT1 P31749 1/20 0.35
KMT2A Q03164 3/20 0.34
MEN1 O00255 2/20 0.34
RAB9A P51151 1/20 0.34
MAPK1 P28482 5/20 0.34
MAPT P10636 4/20 0.34
LMNA P02545 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C19 P33261 1/20 0.34
HIF1A Q16665 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
SCHEMBL25607195 0.98 PRKDC (0.36) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL9926880 0.97 PRKDC (0.36) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25607198 0.97 ALDH1A1 (0.35) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25844763 0.96 ALDH1A1 (0.35) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL18102227 0.96 ALDH1A1 (0.35) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25607201 0.95 AKT1 (0.36) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25607200 0.94 PRKDC (0.35) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL25607202 0.94 AKT1 (0.36) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL1186030 0.94 PRKDC (0.36) PRKDCALDH1A1KDM4ETSHRHSD17B10
SCHEMBL16705205 0.94 AKT1 (0.35) PRKDCALDH1A1KDM4ETSHRHSD17B10

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
EP-3071401-B1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL INC (US) 2017-09-20 EP disclosed
US-20160279886-A1 METHOD OF FORMING A PHOTOCHROMIC SEGMENTED MULTIFOCAL LENS TRANSITIONS OPTICAL, INC. 2016-09-29 US disclosed