SCHEMBL10430838

SCHEMBL10430838

CC(C)(C)c1cc(NCC=CO)cc(C(C)(C)C)c1

nearest known ligand 0.57

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
RXRA P19793 4/20 0.57
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
HDAC3 O15379 1/20 0.34
HDAC6 Q9UBN7 1/20 0.34
ACLY P53396 1/20 0.33
RXRB P28702 3/20 0.32
RXRG P48443 3/20 0.32
ALDH1A1 P00352 2/20 0.31
HMGCR P04035 1/20 0.31
CYP2C19 P33261 1/20 0.31
TRPV1 Q8NER1 2/20 0.31
HPGD P15428 1/20 0.30
TSHR P16473 1/20 0.30
RAB9A P51151 1/20 0.30
CNR1 P21554 1/20 0.30
HTR1D P28221 1/20 0.30
HTR1B P28222 1/20 0.30

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
SCHEMBL6533914 0.75 THRB (0.41) RXRAHDAC3HDAC6ALDH1A1HPGD
SCHEMBL2343338 0.73 GABRA1 (0.44) RXRAGABRA1GABRB2HDAC3HDAC6
SCHEMBL21496239 0.71 ALDH1A1 (0.47) RXRAGABRA1GABRB2HDAC3HDAC6
SCHEMBL3952759 0.67 MAPT (0.52) ALDH1A1HPGDRAB9A
SCHEMBL88554 0.67 RXRA (0.50) RXRAGABRA1GABRB2RXRBRXRG
SCHEMBL11422095 0.67 ALDH1A1 (0.50) ALDH1A1CYP2C19TSHRRAB9A
SCHEMBL13618776 0.66 GABRA1 (0.52) RXRAGABRA1GABRB2HDAC3HDAC6
SCHEMBL1336759 0.65 GABRA1 (0.50) RXRAGABRA1GABRB2HDAC3HDAC6
SCHEMBL29015814 0.64 MEN1 (0.54) GABRA1GABRB2ALDH1A1TRPV1HPGD
SCHEMBL93161 0.64 GABRA1 (0.69) RXRAGABRA1GABRB2RXRBRXRG

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
EP-0374824-A2 Dental compositions containing bifunctional acrylic or methacrylic acid esters THERA Patent GmbH & Co. KG Gesellschaft für industrielle Schutzrechte (DE) 1990-06-27 EP disclosed