SCHEMBL30168643

SCHEMBL30168643

CC(C)(C)[Si](C)(C)OCCOc1cc(C(=O)O)cnc1Cl

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DPP4 P27487 1/20 0.38
PREP P48147 1/20 0.38
FAP Q12884 1/20 0.38
DPP8 Q6V1X1 1/20 0.38
DPP9 Q86TI2 1/20 0.38
MAPT P10636 1/20 0.35
POLB P06746 1/20 0.34
CASP6 P55212 1/20 0.34
CA12 O43570 1/20 0.33
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
CA9 Q16790 1/20 0.33
CA14 Q9ULX7 1/20 0.33
DGAT1 O75907 1/20 0.33
KDM4C Q9H3R0 1/20 0.33
RXRA P19793 1/20 0.33
RXRB P28702 1/20 0.33
RXRG P48443 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
HCAR2 Q8TDS4 1/20 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
SCHEMBL1665412 0.80 RXRA (0.48) POLBCASP6RXRARXRBRXRG
SCHEMBL30168656 0.79 CA12 (0.33) CA12CA1CA2CA9CA14
SCHEMBL979202 0.77 ALDH1A1 (0.41) DPP4PREPFAPDPP8DPP9
SCHEMBL13125270 0.77 PLAU (0.56) MAPTPOLBCA12CA1CA2
SCHEMBL19556499 0.77 MAPT (0.57) MAPTL3MBTL1NAPRT
SCHEMBL23166949 0.77 TSHR (0.58) MAPTPOLBCASP6CA12CA1
SCHEMBL19438931 0.76 L3MBTL1 (0.47) MAPTPOLBCA12CA1CA2
SCHEMBL2714328 0.76 TSHR (0.51) DPP4PREPFAPDPP8DPP9
SCHEMBL2803417 0.76 L3MBTL1 (0.44) DPP4PREPFAPDPP8DPP9
SCHEMBL24987096 0.75 MEN1 (0.44) MAPTPOLBL3MBTL1KDM4EMEN1

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-2022266069-A1 TRICYCLIC KRAS G12D INHIBITORS ERASCA, INC. (US) 2022-12-22 WO disclosed