SCHEMBL22957015

SCHEMBL22957015

CC(C)(C)CC(=O)ON1CCCC1=O

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.38
TSHR P16473 1/20 0.36
CA12 O43570 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
CA3 P07451 1/20 0.36
CA4 P22748 1/20 0.36
CA6 P23280 1/20 0.36
CA5A P35218 1/20 0.36
CA7 P43166 1/20 0.36
CA9 Q16790 1/20 0.36
CA13 Q8N1Q1 1/20 0.36
CA14 Q9ULX7 1/20 0.36
CA5B Q9Y2D0 1/20 0.36
BRD4 O60885 1/20 0.35
BRD2 P25440 1/20 0.35
KMT2A Q03164 5/20 0.33
PIK3CD O00329 1/20 0.33
MEN1 O00255 3/20 0.33
CYP1A2 P05177 2/20 0.33

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
SCHEMBL6886372 0.82 LMNA (0.41) LMNATSHRCA12CA1CA2
SCHEMBL5493150 0.79 LMNA (0.42) LMNATSHRCA12CA1CA2
SCHEMBL28379275 0.79 LMNA (0.40) LMNATSHRCA12CA1CA2
SCHEMBL20404561 0.79 LMNA (0.40) LMNATSHRCA12CA1CA2
SCHEMBL19912633 0.79 LMNA (0.40) LMNATSHRCA12CA1CA2
SCHEMBL8481372 0.77 LMNA (0.43) LMNATSHRCA12CA1CA2
SCHEMBL20658879 0.77 LMNA (0.39) LMNATSHRCA12CA1CA2
SCHEMBL20997112 0.77 BRD4 (0.39) LMNATSHRCA12CA1CA2
SCHEMBL12085975 0.77 TK1 (0.32) LMNACYP1A2CYP2C19CYP2C9KCNQ2
SCHEMBL24722323 0.76 LMNA (0.37) LMNATSHRCA12CA1CA2

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-10912859-B2 Additive able to provide underwater adhesion BAXTER INTERNATIONAL INC. (US) 2021-02-09 US disclosed