SCHEMBL8536607

SCHEMBL8536607

CC1CCC(C(O)c2ccccc2C(=O)OC(C)(C)C)CC1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EED O75530 1/20 0.37
RBBP4 Q09028 1/20 0.37
SUZ12 Q15022 1/20 0.37
EZH2 Q15910 1/20 0.37
AEBP2 Q6ZN18 1/20 0.37
ALDH1A1 P00352 4/20 0.36
KDM4E B2RXH2 1/20 0.36
ADRA1A P35348 1/20 0.35
ADRA1B P35368 1/20 0.35
HPGD P15428 1/20 0.34
KDM1A O60341 1/20 0.32
MAOB P27338 1/20 0.32
GPR119 Q8TDV5 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TAS1R3 Q7RTX0 1/20 0.32
TAS1R1 Q7RTX1 1/20 0.32
TAS1R2 Q8TE23 1/20 0.32
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31

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
SCHEMBL8536606 1.00 EED (0.37) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL8536680 0.75 KDM4E (0.42) ALDH1A1KDM4EADRA1AADRA1BKDM1A
SCHEMBL8536684 0.75 KDM4E (0.42) ALDH1A1KDM4EADRA1AADRA1BKDM1A
SCHEMBL12270386 0.75 TSHR (0.42) ALDH1A1ADRA1AADRA1BHPGDCYP2C19
SCHEMBL28327206 0.71 ADRA1A (0.40) ADRA1AADRA1BGPR119MEN1KMT2A
SCHEMBL5476837 0.71 TSHR (0.39) ALDH1A1ADRA1AADRA1BCYP2C19MEN1
SCHEMBL27713925 0.71 ADRA1A (0.40) ALDH1A1KDM4EADRA1AADRA1BMEN1
SCHEMBL13791900 0.71 GPR119 (0.52) EEDRBBP4SUZ12EZH2AEBP2
SCHEMBL109178 0.71 TSHR (0.50) ALDH1A1ADRA1AADRA1BMEN1KMT2A
SCHEMBL30111657 0.71 TSHR (0.50) ALDH1A1ADRA1AADRA1BMEN1KMT2A

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-0885869-A1 THERAPEUTIC AGENT FOR DIABETES Japan Tobacco Inc. (JP) 1998-12-23 EP disclosed