SCHEMBL6661554

SCHEMBL6661554

CCCC1CCC([O])CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2C9 P11712 1/20 0.39
CYP1A2 P05177 1/20 0.39
ALDH1A1 P00352 2/20 0.37
LMNA P02545 2/20 0.37
MAPT P10636 2/20 0.37
TLR4 O00206 2/20 0.33
KMT2A Q03164 2/20 0.33
MAPK1 P28482 2/20 0.33
MEN1 O00255 1/20 0.33
OPRM1 P35372 3/20 0.33
OPRL1 P41146 3/20 0.33
HTT P42858 1/20 0.32
NOS3 P29474 2/20 0.32
NOS1 P29475 2/20 0.32
NOS2 P35228 2/20 0.32
FYN P06241 1/20 0.32
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA4 P22748 1/20 0.31
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL129995 0.85
SCHEMBL5691374 0.85 CYP1A2 (0.48) CYP2C9CYP1A2ALDH1A1LMNAMAPT
SCHEMBL1008791 0.84 CYP1A2 (0.58) CYP2C9CYP1A2LMNAMAPTTLR4
Formaldehyde SCHEMBL27749193 0.82
SCHEMBL1532927 0.82 CYP1A2 (0.50) CYP2C9CYP1A2ALDH1A1LMNAMAPT
SCHEMBL10479877 0.82 CYP1A2 (0.46) CYP2C9CYP1A2ALDH1A1LMNAMAPT
SCHEMBL7900555 0.82 CYP1A2 (0.46) CYP2C9CYP1A2ALDH1A1LMNAMAPT
Water SCHEMBL7795513 0.82
Phosphine SCHEMBL21352349 0.82
SCHEMBL7900557 0.82 CYP1A2 (0.46) CYP2C9CYP1A2ALDH1A1LMNAMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1046957-B1 Photosensitive resin composition JSR CORP (JP) 2004-07-28 EP disclosed
US-6280905-B1 LIGHT SENSITIVE ELEMENT WITH COPOLYMER OF ALAPHATIC CONJUGATED DIENE AND UNSATURATED AMINO COMPOUNDS JSR CORPORATION (JP) 2001-08-28 US disclosed
EP-1046957-A1 Photosensitive resin composition JSR Corporation (JP) 2000-10-25 EP disclosed