SCHEMBL30189487

SCHEMBL30189487

CCCC(NC1CCC(C(C)(C)C)CC1)S(=O)(=O)O

nearest known ligand 0.37

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
EPHX1 P07099 1/20 0.37
EPHX2 P34913 1/20 0.36
HSD11B1 P28845 1/20 0.33
CPB2 Q96IY4 1/20 0.32
KMT2A Q03164 2/20 0.32
PAX8 Q06710 1/20 0.32
MEN1 O00255 1/20 0.30
ALPL P05186 1/20 0.30

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
SCHEMBL21268065 0.83 RAB9A (0.37) EPHX1
SCHEMBL17923279 0.81 SMN1; SMN2 (0.44) EPHX1EPHX2KMT2A
SCHEMBL21623894 0.76 EPHX1 (0.37) EPHX1EPHX2HSD11B1CPB2KMT2A
SCHEMBL21518424 0.76 EPHX1 (0.37) EPHX1EPHX2HSD11B1CPB2KMT2A
SCHEMBL25275646 0.75 SMN1; SMN2 (0.40) EPHX1EPHX2KMT2A
SCHEMBL21518349 0.73 EPHX1 (0.40) EPHX1EPHX2KMT2AMEN1ALPL
SCHEMBL28325400 0.70 EPHX1 (0.37) EPHX1EPHX2HSD11B1CPB2KMT2A
SCHEMBL17923272 0.69 RAB9A (0.35) EPHX1
SCHEMBL7028930 0.68 HDAC7 (0.38)
SCHEMBL29391933 0.68 ALDH1A1 (0.40) CPB2KMT2AMEN1

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-20230080775-A1 POLYISOCYANATE PREPARATIONS COVESTRO DEUTSCHLAND AG (DE) 2023-03-16 US disclosed