SCHEMBL8935860

SCHEMBL8935860

C=CCc1ccccc1O[C@@H](CC)C(=O)O

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 3/20 0.45
ALDH1A1 P00352 3/20 0.45
ADRA2C P18825 4/20 0.44
ADRA2A P08913 3/20 0.44
ADRA2B P18089 3/20 0.44
HTR1A P08908 3/20 0.44
KCNH2 Q12809 2/20 0.44
ADRB2 P07550 3/20 0.43
ADRB1 P08588 3/20 0.43
LMNA P02545 3/20 0.43
ADRB3 P13945 1/20 0.43
SLC6A2 P23975 1/20 0.43
BDKRB2 P30411 1/20 0.43
SLC6A4 P31645 1/20 0.43
ADRA1A P35348 1/20 0.43
HTR2B P41595 1/20 0.43
CYP1A2 P05177 1/20 0.43
CYP2D6 P10635 1/20 0.43
TSHR P16473 1/20 0.43
NFKB1 P19838 1/20 0.43

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
SCHEMBL8935855 1.00 KDM4E (0.45) KDM4EALDH1A1ADRA2CADRA2AADRA2B
SCHEMBL8935961 0.85 SMN1; SMN2 (0.49) ADRA2CADRA2AADRA2BLMNATSHR
SCHEMBL5861928 0.85 SMN1; SMN2 (0.49) ADRA2CADRA2AADRA2BLMNATSHR
SCHEMBL289123 0.82 KMT2A (0.55) KDM4EALDH1A1ADRA2CADRA2AADRA2B
SCHEMBL3144299 0.82 PPARA (0.50) TSHRSMN1; SMN2
SCHEMBL8417754 0.81 SMN1; SMN2 (0.42) KDM4EALDH1A1LMNATDP1SMN1; SMN2
SCHEMBL11518243 0.79 PPARG (0.49) SMN1; SMN2L3MBTL1
SCHEMBL10449494 0.79 ALDH1A1 (0.52) KDM4EALDH1A1ADRA2CADRA2AADRA2B
SCHEMBL9626061 0.79 ADRA2C (0.53) KDM4EALDH1A1ADRA2CADRA2AADRA2B
SCHEMBL31112271 0.76 ALDH1A1 (0.49) KDM4EALDH1A1ADRA2CHTR1AKCNH2

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
US-5491167-A INHIBITORS OF CHOLESTEROL BIOSYNTHESIS SANKYO COMPANY, LIMITED (JP) 1996-02-13 US disclosed