SCHEMBL27770588

SCHEMBL27770588

CC(COC(=O)CCCc1ccccc1)c1ccccc1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADRB2 P07550 1/20 0.57
ADRB1 P08588 1/20 0.57
ADRB3 P13945 1/20 0.57
ALOX5 P09917 1/20 0.51
LPAR1 Q92633 3/20 0.51
TDP1 Q9NUW8 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.49
HDAC3 O15379 1/20 0.49
MAPK1 P28482 1/20 0.49
ADRA1A P35348 1/20 0.49
HDAC4 P56524 1/20 0.49
SLC6A3 Q01959 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC7 Q8WUI4 1/20 0.49
HDAC2 Q92769 1/20 0.49
HDAC10 Q969S8 1/20 0.49
HDAC11 Q96DB2 1/20 0.49
HDAC8 Q9BY41 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
HDAC9 Q9UKV0 1/20 0.49

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
SCHEMBL28226601 0.86 ADRB2 (0.61) ADRB2ADRB1ADRB3ALOX5LPAR1
SCHEMBL9574183 0.86 SMN1; SMN2 (0.44) TDP1SMN1; SMN2HPGDKMT2AALDH1A1
SCHEMBL28191333 0.84 MAPT (0.55) TDP1KMT2AALDH1A1LMNA
SCHEMBL31657295 0.82 ADRB2 (0.57) ADRB2ADRB1ADRB3ALOX5LPAR1
SCHEMBL28378702 0.82 TLR2 (0.43) ADRB2ADRB1ADRB3LPAR1TDP1
SCHEMBL28384042 0.82 MAPT (0.58) KMT2AALDH1A1LMNA
SCHEMBL28886779 0.82 MAPT (0.58) KMT2AALDH1A1LMNA
SCHEMBL28378432 0.82 MAPT (0.58) KMT2AALDH1A1LMNA
SCHEMBL19024934 0.82 ADRB2 (0.57) ADRB2ADRB1ADRB3ALOX5LPAR1
SCHEMBL28377436 0.82 MAPT (0.58) KMT2AALDH1A1LMNA

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
CN-101489555-A Nf-kappa OTSUKA PHARMA CO LTD (JP) 2009-07-22 CN disclosed