SCHEMBL5520934

SCHEMBL5520934

CCCC(N=C=O)c1ccc(O)cc1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ESR1 P03372 13/20 0.45
ESR2 Q92731 12/20 0.45
SLC6A2 P23975 2/20 0.41
SLC6A3 Q01959 2/20 0.41
CYP1A2 P05177 2/20 0.41
CYP3A4 P08684 2/20 0.41
CYP2C9 P11712 2/20 0.41
CYP2C19 P33261 2/20 0.41
LMNA P02545 1/20 0.41
PGR P06401 1/20 0.41
CHRM2 P08172 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
AR P10275 1/20 0.41
CYP2D6 P10635 1/20 0.41
MAPT P10636 1/20 0.41
CHRM1 P11229 1/20 0.41
ALOX15 P16050 1/20 0.41
DRD1 P21728 1/20 0.41
TBXA2R P21731 1/20 0.41
PTGS1 P23219 1/20 0.41

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
SCHEMBL6432673 0.83 PYCR1 (0.39) SLC6A2SLC6A3CYP1A2MAPTMIF
SCHEMBL6744506 0.82 MIF (0.49) SLC6A2SLC6A3CYP2C19LMNAOPRM1
SCHEMBL9178580 0.81 CYP3A4 (0.43) CYP1A2CYP3A4TDP1MIF
SCHEMBL13216639 0.79 SLC6A4 (0.41) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL22265174 0.79 SLC6A4 (0.41) CYP3A4CYP2C9CYP2C19MEN1KMT2A
SCHEMBL9181828 0.78 KDM4E (0.31) ALDH1A1
SCHEMBL21478288 0.76 CES2 (0.34)
SCHEMBL13216624 0.75 PDE2A (0.44) CYP3A4LMNAMAPTALOX15TDP1
SCHEMBL9227592 0.75 MIF (0.52) ESR1SLC6A2SLC6A3CYP1A2CYP3A4
SCHEMBL22444740 0.73 TSHR (0.44) SLC6A2SLC6A3LMNAMAPTTDP1

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-20070072136-A1 Photothermographic material FUJI PHOTO FILM CO., LTD. 2007-03-29 US disclosed