SCHEMBL31048874

SCHEMBL31048874

CC(C)(C)OC(=O)CC(=O)Cc1ccccc1F

nearest known ligand 0.47

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
VNN1 O95497 1/20 0.47
GPR119 Q8TDV5 1/20 0.45
RIPK1 Q13546 2/20 0.44
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
ALDH1A1 P00352 4/20 0.42
TAAR1 Q96RJ0 1/20 0.41
MTNR1A P48039 1/20 0.41
MTNR1B P49286 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
LMNA P02545 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
RAB9A P51151 1/20 0.40
ANO1 Q5XXA6 1/20 0.39
KMT2A Q03164 1/20 0.39
PTPN1 P18031 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
SCHEMBL19994734 0.87 MTNR1A (0.51) VNN1GPR119RIPK1CTSSCTSK
SCHEMBL31552004 0.81 RIPK1 (0.42) GPR119RIPK1MTNR1AMTNR1B
SCHEMBL15334186 0.80 L3MBTL1 (0.52) ALDH1A1TAAR1SMN1; SMN2L3MBTL1LMNA
SCHEMBL28301761 0.80 MTNR1A (0.48) GPR119MTNR1AMTNR1B
SCHEMBL4664826 0.79 VNN1 (0.60) VNN1GPR119RIPK1CTSSCTSK
SCHEMBL29059884 0.78 CTSS (0.43) RIPK1CTSSCTSKALDH1A1TAAR1
SCHEMBL5089657 0.78 CA12 (0.47) VNN1ALDH1A1SMN1; SMN2L3MBTL1LMNA
SCHEMBL3456260 0.77 RIPK1 (0.41) VNN1GPR119RIPK1CTSSCTSK
SCHEMBL2206253 0.77 ALDH1A1 (0.48) VNN1RIPK1ALDH1A1TAAR1SMN1; SMN2
SCHEMBL29181812 0.77 MTNR1A (0.45) MTNR1AMTNR1BRAB9AKMT2A

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-2024167922-A2 HETEROCYCLIC COMPOUNDS AS NRAS INHIBITORS BOARD OF REGENTS, THE UNIVERSITY OF TEXAS SYSTEM (US) 2024-08-15 WO disclosed