SCHEMBL29920680

SCHEMBL29920680

CC(C)(C)OC(=O)NS(=O)(=O)C(C)(C)C1(O)CCOc2cc(F)ccc21

nearest known ligand 0.37

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
AKR1B1 P15121 3/20 0.37
RIPK1 Q13546 1/20 0.34
RORC P51449 10/20 0.33
LMNA P02545 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA7 P43166 1/20 0.32
CA14 Q9ULX7 1/20 0.32
KDM4D Q6B0I6 1/20 0.32

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
SCHEMBL29920342 0.81 AKR1B1 (0.36) AKR1B1RIPK1RORCLMNACA12
SCHEMBL29920679 0.79 AKR1B1 (0.41) AKR1B1RIPK1LMNA
SCHEMBL29920666 0.72 RORC (0.35) RORCCA12CA1CA7CA14
SCHEMBL29920644 0.72 RORC (0.35) RORCCA12CA1CA7CA14
SCHEMBL29920739 0.70 AKR1B1 (0.40) AKR1B1RORCCA12CA1CA7
SCHEMBL29920606 0.70 AKR1B1 (0.40) AKR1B1RORCCA12CA1CA7
SCHEMBL29920385 0.69 MAP3K14 (0.39) AKR1B1RORCLMNACA12CA1
SCHEMBL29920997 0.69 CA12 (0.36) AKR1B1RORCCA12CA1CA7
SCHEMBL29920736 0.69 AKR1B1 (0.34) AKR1B1RORCCA12CA1CA7
SCHEMBL29920592 0.66 TRPV1 (0.48) KDM4D

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
WO-2022217248-A1 SUBSTITUTED SULFONAMIDE-CHROMAN COMPOUNDS, AND PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF SUNOVION PHARMACEUTICALS INC. (US) 2022-10-13 WO disclosed