SCHEMBL30142406

SCHEMBL30142406

CCCC(NC12CC3CC(CC(C3)C1)C2)S(=O)(=O)O

nearest known ligand 0.44

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
SMN1; SMN2 Q16637 1/20 0.41
EPHX2 P34913 11/20 0.40
MEN1 O00255 1/20 0.36
ALDH1A1 P00352 1/20 0.36
CA12 O43570 1/20 0.35
CA2 P00918 1/20 0.35
CA7 P43166 1/20 0.35
CA9 Q16790 1/20 0.35
CA14 Q9ULX7 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
SCHEMBL21518405 0.72 KMT2A (0.39) KMT2ASMN1; SMN2EPHX2CA12CA2
SCHEMBL5509409 0.69 EPHX2 (0.37) KMT2ASMN1; SMN2EPHX2ALDH1A1CA12
SCHEMBL30189438 0.68 GRIN2D (0.49) EPHX2
SCHEMBL354387 0.68 EPHX2 (0.39) KMT2ASMN1; SMN2EPHX2CA12CA2
SCHEMBL12226580 0.68 EPHX2 (0.39) KMT2ASMN1; SMN2EPHX2CA12CA2
SCHEMBL29391933 0.67 ALDH1A1 (0.40) KMT2AMEN1ALDH1A1
SCHEMBL17923279 0.67 SMN1; SMN2 (0.44) KMT2ASMN1; SMN2EPHX2ALDH1A1CA12
SCHEMBL5154817 0.67 HDAC7 (0.43) CA12CA2CA7CA14
SCHEMBL7028930 0.67 HDAC7 (0.38) CA12CA2CA7CA14
SCHEMBL21268065 0.66 RAB9A (0.37) SMN1; SMN2ALDH1A1CA12CA9

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
EP-4107198-A1 POLYISOCYANATE PREPARATIONS Covestro Deutschland AG (DE) 2022-12-28 EP disclosed