SCHEMBL25988587

SCHEMBL25988587

CC(C)(C)CCC(C)(C)N1CCCC1=O

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.39
BRD2 P25440 1/20 0.39
PIK3CD O00329 1/20 0.36
LMNA P02545 4/20 0.33
KMT2A Q03164 1/20 0.33
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA3 P07451 1/20 0.32
CA4 P22748 1/20 0.32
CA6 P23280 1/20 0.32
CA5A P35218 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32
CA13 Q8N1Q1 1/20 0.32
CA14 Q9ULX7 1/20 0.32
CA5B Q9Y2D0 1/20 0.32
TSHR P16473 2/20 0.32
CHRM2 P08172 3/20 0.31
CHRM5 P08912 3/20 0.31

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
SCHEMBL19918791 0.85 BRD4 (0.39) BRD4BRD2PIK3CDLMNAKMT2A
SCHEMBL6608794 0.83 BRD4 (0.38) BRD4BRD2PIK3CDLMNAKMT2A
SCHEMBL11028251 0.82 BRD4 (0.40) BRD4BRD2PIK3CDLMNAKMT2A
SCHEMBL19918839 0.81 BRD4 (0.36) BRD4BRD2PIK3CDLMNAKMT2A
SCHEMBL11028833 0.80 ALOX5 (0.38) BRD4BRD2PIK3CDLMNACA12
SCHEMBL3973893 0.80 PIK3CD (0.44) BRD4BRD2PIK3CDLMNAKMT2A
SCHEMBL10093754 0.80 BRD4 (0.41) BRD4BRD2PIK3CDLMNAKMT2A
SCHEMBL21849060 0.80 POLB (0.35) BRD4BRD2LMNAKMT2AALDH1A1
SCHEMBL18799321 0.79 BRD4 (0.33) BRD4BRD2PIK3CDLMNACA12
SCHEMBL24409413 0.79 ALOX5 (0.41) BRD4BRD2PIK3CDLMNACA12

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-3370518-B1 COMPOSITIONS AND METHODS FOR REDUCING ICE CRYSTAL FORMATION X THERMA INC (US) 2023-08-23 EP disclosed