SCHEMBL29954972

SCHEMBL29954972

COc1cc(B(O)O)ccc1NC(C)C

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
ENPP2 Q13822 4/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
ALDH1A1 P00352 2/20 0.36
HPGD P15428 1/20 0.36
KDR P35968 2/20 0.35
TUBB4A P04350 1/20 0.35
TUBB P07437 1/20 0.35
TUBA3C P0DPH7 1/20 0.35
TUBA1B P68363 1/20 0.35
TUBA4A P68366 1/20 0.35
TUBB4B P68371 1/20 0.35
TUBB3 Q13509 1/20 0.35
TUBB2A Q13885 1/20 0.35
TUBB8 Q3ZCM7 1/20 0.35
TUBA3E Q6PEY2 1/20 0.35
TUBA1A Q71U36 1/20 0.35
TUBA1C Q9BQE3 1/20 0.35

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
SCHEMBL29953938 0.75 HSD17B1 (0.54) ALDH1A1HPGDCYP1A1CYP1A2CYP1B1
SCHEMBL5292685 0.75 ALDH1A1 (0.56) SMN1; SMN2CA1CA2ALDH1A1HPGD
SCHEMBL171843 0.75 ACHE (0.52) LMNASMN1; SMN2ALDH1A1LPAR1
SCHEMBL23114 0.74 ENPP2 (0.52) ENPP2CA1CA2ALDH1A1HPGD
SCHEMBL29127764 0.74 ENPP2 (0.44) ENPP2CA1CA2KDRTUBB4A
SCHEMBL5636990 0.72 ENPP2 (0.42) ENPP2CA1CA2TUBB4ATUBB
SCHEMBL25173988 0.72 ENPP2 (0.54) ENPP2CA1CA2KDRTUBB4A
SCHEMBL28900181 0.71 GAA (0.47) LMNASMN1; SMN2ALDH1A1HPGDCYP1A1
SCHEMBL11322 0.71 MAOB (0.57) LMNAENPP2CA1CA2ALDH1A1
SCHEMBL29956693 0.71 MAOB (0.57) LMNAENPP2CA1CA2ALDH1A1

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