SCHEMBL28925136

SCHEMBL28925136

Cc1cccc(CC(C)(C)C(=O)CC(C)(Cc2cccc(C)c2)C(C)O)c1

nearest known ligand 0.39

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LNPEP Q9UIQ6 1/20 0.37
CTBP2 P56545 1/20 0.37
MEN1 O00255 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
POLB P06746 1/20 0.36
TSHR P16473 1/20 0.36
VDR P11473 1/20 0.35
GRM2 Q14416 1/20 0.35
GRM3 Q14832 1/20 0.35
ADRB2 P07550 1/20 0.35
ADRB1 P08588 1/20 0.35
MAOB P27338 2/20 0.35
TAAR1 Q96RJ0 1/20 0.34
MMP13 P45452 1/20 0.34

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
SCHEMBL9748488 0.80 TSHR (0.40) CTBP2POLBTSHRTAAR1
SCHEMBL692554 0.78 CTBP2 (0.49) CTBP2MEN1HPGDKMT2APOLB
SCHEMBL21859555 0.75 TAAR1 (0.47) CTBP2MEN1HPGDKMT2APOLB
SCHEMBL2965433 0.75 TRPA1 (0.47) LNPEPCTBP2TSHRADRB2ADRB1
SCHEMBL9528448 0.75 MAOB (0.45) CTBP2MEN1HPGDKMT2APOLB
SCHEMBL9985409 0.73 CTBP2 (0.39) LNPEPCTBP2MEN1HPGDKMT2A
SCHEMBL1698134 0.73 CTBP2 (0.39) LNPEPCTBP2MEN1HPGDKMT2A
SCHEMBL12032110 0.73 CTBP2 (0.39) LNPEPCTBP2MEN1HPGDKMT2A
SCHEMBL17106362 0.71 MAOB (0.42) CTBP2MEN1HPGDKMT2APOLB
SCHEMBL20859039 0.71 CTBP2 (0.45) CTBP2MEN1HPGDKMT2APOLB

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-115551825-A Lilac type aromatic compound 西姆莱斯有限公司 2022-12-30 CN disclosed