SCHEMBL25614809

SCHEMBL25614809

CNC(=O)c1cc(-c2ccc(C)cc2)cc(C(C)C)c1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
AKR1C3 P42330 2/20 0.46
MMP13 P45452 1/20 0.44
HSD17B1 P14061 1/20 0.42
HSD17B2 P37059 1/20 0.42
RXRA P19793 1/20 0.41
RXRB P28702 1/20 0.41
RXRG P48443 1/20 0.41
SCN5A Q14524 1/20 0.41
SCN2A Q99250 1/20 0.41
AKR1C4 P17516 1/20 0.39
AKR1C2 P52895 1/20 0.39
AKR1C1 Q04828 1/20 0.39
ANPEP P15144 1/20 0.39
FABP1 P07148 1/20 0.39
P2RY14 Q15391 1/20 0.39

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
SCHEMBL24807366 0.91 KIF11 (0.45) AKR1C3HSD17B1HSD17B2RXRARXRB
SCHEMBL14210413 0.85 MMP13 (0.53) AKR1C3MMP13HSD17B1HSD17B2RXRA
SCHEMBL24809157 0.82 RXRA (0.55) HSD17B1HSD17B2RXRARXRBRXRG
SCHEMBL12030869 0.80 TAS1R3 (0.40) MMP13SCN5ASCN2A
SCHEMBL1004004 0.80 HDAC8 (0.43) MMP13
SCHEMBL16574182 0.76 MMP13 (0.69) MMP13
SCHEMBL19391346 0.75 HDAC2 (0.53) SCN5ASCN2AANPEP
SCHEMBL14210412 0.74 CRBN (0.58) MMP13
SCHEMBL19369014 0.74 CRBN (0.54) RXRARXRBRXRG
SCHEMBL20346989 0.74 CA12 (0.39)

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-2023107673-A2 CLEAVABLE DISULFIDE LINKERS AND USES THEREOF Singular Genomics Systems, Inc. (US) 2023-06-15 WO disclosed