SCHEMBL9800334

SCHEMBL9800334

C=CCc1ccc(O)c(C=O)c1O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.49
GABRA1 P14867 4/20 0.47
GABRB2 P47870 4/20 0.47
AKR1B1 P15121 2/20 0.44
XDH P47989 2/20 0.40
GAA P10253 3/20 0.39
MAPT P10636 3/20 0.39
KMT2A Q03164 3/20 0.39
KDM4E B2RXH2 2/20 0.39
MEN1 O00255 2/20 0.39
CNR1 P21554 2/20 0.39
CNR2 P34972 2/20 0.39
ALDH1A1 P00352 2/20 0.39
HPGD P15428 2/20 0.39
ALDH2 P05091 1/20 0.39
PPARG P37231 1/20 0.39
PPARD Q03181 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
ALOX5 P09917 1/20 0.38
GABRB1 P18505 1/20 0.38

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
SCHEMBL9637283 0.82 POLB (0.46) POLBGABRA1GABRB2AKR1B1XDH
SCHEMBL7190258 0.79 KDM4E (0.49) POLBGABRA1GABRB2AKR1B1XDH
SCHEMBL978929 0.78 GABRA1 (0.55) POLBGABRA1GABRB2AKR1B1XDH
SCHEMBL166586 0.78 GABRA1 (0.52) POLBGABRA1GABRB2AKR1B1XDH
SCHEMBL15676646 0.77 GABRA1 (0.64) POLBGABRA1GABRB2AKR1B1XDH
SCHEMBL8817260 0.76 GABRA1 (0.42) POLBGABRA1GABRB2AKR1B1KMT2A
SCHEMBL6907532 0.76 GABRA1 (0.48) POLBGABRA1GABRB2AKR1B1MAPT
SCHEMBL10532667 0.75 KDM4E (0.43) POLBGABRA1GABRB2AKR1B1XDH
SCHEMBL11869412 0.75 ALDH1A1 (0.43) POLBGABRA1GABRB2MAPTKDM4E
SCHEMBL11667306 0.75 POLB (0.40) POLBGABRA1GABRB2AKR1B1XDH

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-0258479-B1 ROOM TEMPERATURE SETTING ADHESIVE COMPOSITION National Starch and Chemical Investment Holding Corporation (US) 1991-03-06 EP disclosed
US-4687809-A ACETOACETYLATED POLYVINYL ALCOHOL, COPOLYMER OF ACETOACETYLATED UNSATURATED MONOMER, RESORCINOL RESIN, HEXAMETHYLENETETRAMINE NATIONAL STARCH AND CHEMICAL CORPORATION (US) 1987-08-18 US disclosed