SCHEMBL29956963

SCHEMBL29956963

CCCCOc1cc(B(O)O)ccc1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ENPP2 Q13822 1/20 0.43
GLA P06280 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
LPL P06858 6/20 0.41
LIPG Q9Y5X9 6/20 0.41
BACE1 P56817 1/20 0.41
ALDH1A1 P00352 4/20 0.40
LMNA P02545 1/20 0.40
TRPV1 Q8NER1 1/20 0.40
MGLL Q99685 1/20 0.40
ATM Q13315 1/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
MEN1 O00255 1/20 0.40
USP2 O75604 1/20 0.40
POLB P06746 1/20 0.40
MAPT P10636 1/20 0.40
CYP2C9 P11712 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
SCHEMBL4881084 0.92 CSNK2A1 (0.44) ENPP2CA1CA2LPLLIPG
SCHEMBL29953019 0.92 CSNK2A1 (0.44) ENPP2CA1CA2LPLLIPG
SCHEMBL257737 0.87 ENPP2 (0.56) ENPP2GLASMN1; SMN2CA1CA2
SCHEMBL29956646 0.85 ENPP2 (0.46) ENPP2SMN1; SMN2LPLLIPGALDH1A1
SCHEMBL2854999 0.85 ENPP2 (0.46) ENPP2SMN1; SMN2LPLLIPGALDH1A1
SCHEMBL1155862 0.85 CA1 (0.46) ENPP2GLASMN1; SMN2CA1CA2
SCHEMBL31469079 0.84 ALDH1A1 (0.50) ENPP2ALDH1A1LMNAL3MBTL1TDP1
SCHEMBL2561475 0.84 L3MBTL1 (0.46) ENPP2ALDH1A1LMNAL3MBTL1MEN1
SCHEMBL2551648 0.81 UTS2R (0.46) ENPP2SMN1; SMN2ALDH1A1LMNATDP1
SCHEMBL8082305 0.81 FAAH (0.46) ENPP2CA1CA2KDM4E

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