SCHEMBL29954716

SCHEMBL29954716

CCOC(=O)c1ccc(B(O)O)cc1Cl

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.49
CYP4A11 Q02928 1/20 0.49
BAZ2B Q9UIF8 1/20 0.49
BAZ2A Q9UIF9 1/20 0.49
CA1 P00915 4/20 0.47
CA2 P00918 4/20 0.47
CA12 O43570 3/20 0.47
CA9 Q16790 3/20 0.47
CA7 P43166 2/20 0.47
CA14 Q9ULX7 2/20 0.47
TSHR P16473 1/20 0.47
CHRM2 P08172 1/20 0.44
CHRM3 P20309 1/20 0.44
MAOA P21397 1/20 0.44
HTR2C P28335 1/20 0.44
CHRNA4 P43681 1/20 0.44
HTR3A P46098 1/20 0.44
KCNH2 Q12809 1/20 0.44
HRH3 Q9Y5N1 1/20 0.44
MAPK1 P28482 1/20 0.43

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
SCHEMBL15286075 1.00 CYP4F2 (0.49) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL29954065 0.88 CYP4F2 (0.60) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL364895 0.88 CYP4F2 (0.60) CYP4F2CYP4A11BAZ2BBAZ2ACA1
SCHEMBL28855354 0.84 CA12 (0.50) CYP4F2CYP4A11CA1CA2CA12
SCHEMBL29950902 0.82 ABL1 (0.47) CA1CA2CA12CA9CA7
SCHEMBL364081 0.82 ABL1 (0.47) CA1CA2CA12CA9CA7
SCHEMBL4975437 0.81 ALDH1A1 (0.57) CA1CA2CA12CA9CA7
SCHEMBL29950690 0.81 CA12 (0.47) CA1CA2CA12CA9CA7
SCHEMBL763540 0.81 CA12 (0.47) CA1CA2CA12CA9CA7
SCHEMBL522136 0.80 KMT2A (0.59) CYP4F2CYP4A11BAZ2BBAZ2ACA1

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