SCHEMBL3721185

SCHEMBL3721185

CC(C)Oc1cccc(C(Br)Br)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.44
RXRB P28702 1/20 0.44
ACHE P22303 3/20 0.42
PTGS1 P23219 1/20 0.42
KMT2A Q03164 4/20 0.41
MEN1 O00255 3/20 0.41
GAA P10253 1/20 0.41
HTT P42858 1/20 0.41
BCHE P06276 2/20 0.40
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA5 P31644 1/20 0.40
GABRA3 P34903 1/20 0.40
ALDH1A1 P00352 2/20 0.39
KDM4E B2RXH2 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
NSD2 O96028 1/20 0.39
FAAH O00519 1/20 0.39
HSD17B10 Q99714 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
SCHEMBL27708876 0.88 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL8053572 0.84 RXRA (0.47) RXRARXRBACHEPTGS1KMT2A
SCHEMBL2737262 0.83 KDM4E (0.49) RXRARXRBACHEPTGS1KMT2A
SCHEMBL2968363 0.80 RXRA (0.53) RXRARXRBKMT2AMEN1GAA
SCHEMBL19171565 0.80 ACHE (0.46) RXRARXRBACHEPTGS1KMT2A
SCHEMBL14122063 0.80 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL1416897 0.80 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL28503154 0.80 DRD1 (0.44) RXRAPTGS1KMT2AMEN1HTT
SCHEMBL14157496 0.80 RXRA (0.44) RXRARXRBACHEPTGS1KMT2A
SCHEMBL6055421 0.80 RXRA (0.47) RXRARXRBACHEPTGS1KMT2A

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
WO-2010127212-A1 INHIBITORS OF ACETYL-COA CARBOXYLASE FOREST LABORATORIES HOLDINGS LIMITED (BM) 2010-11-04 WO disclosed