SCHEMBL4502871

SCHEMBL4502871

CCCCCCCCCCC1(CCCCCCCCCC)c2cc(C#N)ccc2-c2ccc(C#N)cc21

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.43
HSD17B10 Q99714 1/20 0.43
PDK2 Q15119 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
DRD2 P14416 3/20 0.39
DRD3 P35462 3/20 0.39
SLC6A4 P31645 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HPGD P15428 2/20 0.36
HTT P42858 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
MGLL Q99685 1/20 0.36
PGR P06401 1/20 0.35
CYP2A6 P11509 1/20 0.34
CYP19A1 P11511 3/20 0.34
ICMT O60725 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
SCHEMBL3206468 1.00 TSHR (0.43) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL28243665 0.93 PDK2 (0.47) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL20147099 0.93 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL16023952 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL4506235 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL16013671 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL16024254 0.92 TSHR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL20046033 0.87 ALDH1A1 (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL17511234 0.87 PGR (0.38) TSHRHSD17B10PDK2CNR1CNR2
SCHEMBL18012828 0.87 PDK2 (0.49) TSHRHSD17B10PDK2CNR1CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7611823-B1 Photosensitive polymeric material for WORM optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-11-03 US disclosed
US-7598018-B1 Photosensitive polymeric material for worm optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-10-06 US disclosed
US-7524611-B2 Photosensitive polymeric material for worm optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2009-04-28 US disclosed
US-20080187862-A1 New photosensitive polymeric material for worm optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION INC. 2008-08-07 US disclosed
US-7291442-B1 Photosensitive polymeric material for WORM optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2007-11-06 US disclosed
US-7001708-B1 Photosensitive polymeric material for worm optical data storage with two-photon fluorescent readout UNIVERSITY OF CENTRAL FLORIDA RESEARCH FOUNDATION, INC. (US) 2006-02-21 US disclosed