SCHEMBL29953904

SCHEMBL29953904

CCOC1CCN(Cc2cccc(B(O)O)c2)CC1

nearest known ligand 0.45

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.45
ALDH1A1 P00352 1/20 0.45
MAPT P10636 1/20 0.45
CCR8 P51685 3/20 0.43
LPL P06858 2/20 0.43
LIPG Q9Y5X9 2/20 0.43
ENPP2 Q13822 1/20 0.42
JAK1 P23458 1/20 0.41
CARM1 Q86X55 1/20 0.40
PRMT6 Q96LA8 1/20 0.40
PRMT8 Q9NR22 1/20 0.40
CCR5 P51681 1/20 0.40
OPRK1 P41145 1/20 0.40

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
SCHEMBL29955881 0.84 CCR5 (0.46) KDM4EALDH1A1LPLLIPGJAK1
SCHEMBL26488577 0.82 ACHE (0.59) KDM4ELPLLIPGENPP2
SCHEMBL29957545 0.81 LPL (0.47) KDM4EALDH1A1MAPTLPLLIPG
SCHEMBL29957623 0.79 PARP1 (0.45) LPLLIPGENPP2
SCHEMBL27833086 0.79 ACHE (0.62) CARM1PRMT6PRMT8
SCHEMBL11916757 0.78 ALDH1A1 (0.57) KDM4EALDH1A1MAPTCCR8
SCHEMBL1724355 0.77 SMN1; SMN2 (0.60) KDM4EALDH1A1LPLLIPGENPP2
SCHEMBL29955859 0.77 LPL (0.51) KDM4EALDH1A1LPLLIPGENPP2
SCHEMBL3666137 0.76 MC4R (0.57) KDM4EALDH1A1MAPTLPLLIPG
Hydrochloric Acid SCHEMBL29955383 0.76 SMN1; SMN2 (0.58) KDM4EALDH1A1LPLLIPGENPP2

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