SCHEMBL21948296

SCHEMBL21948296

Cc1ccc(F)n(C(C)C)c1=O

nearest known ligand 0.34

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LMNA P02545 1/20 0.34
MCOLN3 Q8TDD5 1/20 0.34
PKM P14618 1/20 0.34
ALDH1A1 P00352 2/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
PGR P06401 2/20 0.32
CDC25A P30304 1/20 0.32
CDC25C P30307 1/20 0.32
POLB P06746 2/20 0.32
P2RX3 P56373 2/20 0.31
MAPT P10636 2/20 0.31
KDM4E B2RXH2 1/20 0.31
ALOX15 P16050 1/20 0.31
MAPK1 P28482 1/20 0.31
HSD17B10 Q99714 1/20 0.31
TP53 P04637 1/20 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
SCHEMBL13303071 0.78 LMNA (0.42) LMNAMCOLN3ALDH1A1L3MBTL1CDC25A
SCHEMBL21960472 0.78 ALDH1A1 (0.32) ALDH1A1L3MBTL1PGRPOLBP2RX3
SCHEMBL13325663 0.78 ALDH1A1 (0.33) LMNAMCOLN3ALDH1A1L3MBTL1CDC25A
SCHEMBL29348235 0.68 PGR (0.36) ALDH1A1L3MBTL1PGRPOLB
SCHEMBL18804578 0.67 ALDH1A1 (0.36) LMNAMCOLN3ALDH1A1L3MBTL1PGR
SCHEMBL18937487 0.64 BRD4 (0.35) LMNAMCOLN3ALDH1A1L3MBTL1CDC25A
SCHEMBL23163270 0.62 SLC9A1 (0.38) LMNAMCOLN3ALDH1A1L3MBTL1POLB
SCHEMBL8656134 0.62 ALDH1A1 (0.47) LMNAMCOLN3ALDH1A1L3MBTL1POLB
SCHEMBL25606172 0.62 CDC25A (0.35) LMNAMCOLN3ALDH1A1L3MBTL1CDC25A
SCHEMBL12180573 0.61 BRPF1 (0.38) ALDH1A1L3MBTL1POLBKDM4EALOX15

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-2020081508-A1 TYK2 INHIBITORS AND USES THEREOF NIMBUS LAKSHMI, INC. (US) 2020-04-23 WO disclosed