SCHEMBL29953768

SCHEMBL29953768

CC1CCC(OCc2ccc(F)cc2B(O)O)CC1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR1A P08908 1/20 0.45
LIPE Q05469 1/20 0.38
CARM1 Q86X55 3/20 0.38
PRMT6 Q96LA8 3/20 0.38
PRMT8 Q9NR22 1/20 0.38
USP2 O75604 1/20 0.35
ALDH1A1 P00352 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
MGLL Q99685 2/20 0.35
SIGMAR1 Q99720 2/20 0.34
LMNA P02545 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
SLC6A2 P23975 1/20 0.33
SLC6A4 P31645 1/20 0.33
SLC6A3 Q01959 1/20 0.33
KCNH2 Q12809 1/20 0.33
TMEM97 Q5BJF2 1/20 0.33
NAAA Q02083 1/20 0.33
KMT2A Q03164 1/20 0.33
TSHR P16473 1/20 0.33

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
SCHEMBL29953993 0.89 HTR1A (0.44) HTR1ALIPECARM1PRMT6PRMT8
SCHEMBL29951056 0.87 HTR1A (0.43) HTR1ALIPECARM1PRMT6PRMT8
SCHEMBL29955252 0.80 HTR1A (0.36) HTR1ACARM1PRMT6NAAA
SCHEMBL26036150 0.77 HTR1A (0.41) HTR1ACARM1PRMT6PRMT8NAAA
SCHEMBL29957230 0.75 DRD4 (0.41) CARM1PRMT6PRMT8SIGMAR1TMEM97
SCHEMBL28983761 0.74 IDO1 (0.39) LIPEALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL30396772 0.74 IDO1 (0.39) LIPEALDH1A1TDP1SMN1; SMN2KMT2A
SCHEMBL13003371 0.72 GRM2 (0.42) HTR1ACARM1PRMT6PRMT8ALDH1A1
SCHEMBL29951134 0.71 HTR2C (0.36) LIPEMGLLSLC6A4HTR2A
SCHEMBL15725321 0.71 HTR1A (0.37) HTR1ACARM1PRMT6CYP19A1

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-20220340893-A1 BI-FUNCTIONAL COMPLEXES AND METHODS FOR MAKING AND USING SUCH COMPLEXES NUEVOLUTION A/S (DK) 2022-10-27 US disclosed