SCHEMBL16705205

SCHEMBL16705205

COc1ccc(C2(c3ccc(O)cc3)C=Cc3c4c(c5cc(N6CCOCC6)ccc5c3O2)-c2ccc(-c3ccccc3)cc2C4(C)C)cc1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AKT1 P31749 1/20 0.35
PRKDC P78527 1/20 0.34
ALDH1A1 P00352 4/20 0.34
TSHR P16473 2/20 0.34
HSD17B10 Q99714 2/20 0.34
USP2 O75604 2/20 0.34
CYP1A2 P05177 2/20 0.34
HSD17B1 P14061 1/20 0.34
HSD17B2 P37059 1/20 0.34
MAPK1 P28482 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
MEN1 O00255 6/20 0.34
KMT2A Q03164 6/20 0.34
RXFP1 Q9HBX9 1/20 0.34
MMP1 P03956 1/20 0.34
MMP2 P08253 1/20 0.34
MMP3 P08254 1/20 0.34
MMP13 P45452 1/20 0.34
RAB9A P51151 1/20 0.34
KDM4E B2RXH2 2/20 0.33

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
SCHEMBL18102227 0.96 ALDH1A1 (0.35) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL9926880 0.96 PRKDC (0.36) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL25607201 0.94 AKT1 (0.36) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL25607202 0.94 AKT1 (0.36) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL18102198 0.94 PRKDC (0.36) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL25607195 0.92 PRKDC (0.36) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL1186030 0.91 PRKDC (0.36) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL25607198 0.91 ALDH1A1 (0.35) AKT1PRKDCALDH1A1TSHRHSD17B10
SCHEMBL9926879 0.91 PRKDC (0.34) AKT1PRKDCALDH1A1MEN1KMT2A
SCHEMBL25844763 0.90 ALDH1A1 (0.35) AKT1PRKDCALDH1A1TSHRHSD17B10

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9028728-B2 Photochromic materials that include indeno-fused naphthopyrans TRANSITIONS OPTICAL, INC. (US) 2015-05-12 US disclosed