SCHEMBL16149488

SCHEMBL16149488

CCC1(CC)CC(C(C)OS(=O)(=O)c2ccc(C)cc2)OC1=O

nearest known ligand 0.40

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HTR7 P34969 13/20 0.40
TMEM97 Q5BJF2 3/20 0.33
ALDH1A1 P00352 4/20 0.33
LMNA P02545 1/20 0.33
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
NPSR1 Q6W5P4 1/20 0.33
CRBN Q96SW2 1/20 0.33
KMT2A Q03164 1/20 0.33
POLB P06746 1/20 0.32
MAPT P10636 1/20 0.32
KDM4E B2RXH2 1/20 0.32

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
SCHEMBL6982425 0.75 KMT2A (0.39) ALDH1A1LMNAGAASMN1; SMN2NPSR1
SCHEMBL6982420 0.75 KMT2A (0.39) ALDH1A1LMNAGAASMN1; SMN2NPSR1
SCHEMBL17592502 0.75 HTR7 (0.54) HTR7TMEM97
SCHEMBL16149050 0.75 HTR7 (0.54) HTR7TMEM97
SCHEMBL17592850 0.75 HTR7 (0.54) HTR7TMEM97
SCHEMBL17592845 0.73 HTR7 (0.54) HTR7TMEM97
SCHEMBL3454507 0.70 CYP2D6 (0.44) ALDH1A1LMNAGAASMN1; SMN2POLB
SCHEMBL10832402 0.68 ALDH1A1 (0.51) ALDH1A1LMNAGAASMN1; SMN2NPSR1
SCHEMBL17435858 0.68 HTR7 (0.59) HTR7
SCHEMBL14780181 0.68 TSHR (0.45) ALDH1A1GAASMN1; SMN2KMT2APOLB

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2970223-A1 NOVEL 5-HYDROXYTRYPTAMINE RECEPTOR 7 ACTIVITY MODULATORS AND THEIR METHOD OF USE Temple University Of The Commonwealth System Of Higher Education (US) 2016-01-20 EP disclosed
WO-2014164756-A1 NOVEL 5-HYDROXYTRYPTAMINE RECEPTOR 7 ACTIVITY MODULATORS AND THEIR METHOD OF USE TEMPLE UNIVERSITY OF THE COMMONWEALTH SYSTEM OF HIGHER EDUCATION (US) 2014-10-09 WO disclosed