SCHEMBL31628014

SCHEMBL31628014

[2H]SC(C(=O)c1ccccc1)(c1ccccc1)c1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 4/20 0.52
SRC P12931 1/20 0.43
CA12 O43570 1/20 0.41
CA1 P00915 1/20 0.41
CA2 P00918 1/20 0.41
CA3 P07451 1/20 0.41
CA4 P22748 1/20 0.41
CA6 P23280 1/20 0.41
CA5A P35218 1/20 0.41
CA7 P43166 1/20 0.41
CA9 Q16790 1/20 0.41
CA13 Q8N1Q1 1/20 0.41
CA14 Q9ULX7 1/20 0.41
CA5B Q9Y2D0 1/20 0.41
F2 P00734 1/20 0.40
LMNA P02545 1/20 0.40
TSHR P16473 4/20 0.39
CES2 O00748 2/20 0.39
ALDH1A1 P00352 2/20 0.39
DAO P14920 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
SCHEMBL1127623 0.85 CES1 (0.57) CES1SRCCA12CA1CA2
Perchlorate SCHEMBL9003681 0.77 CES1 (0.49) CES1SRCCA12CA1CA2
SCHEMBL9003456 0.73 CES1 (0.52) CES1SRCTSHRCES2ALDH1A1
SCHEMBL9003619 0.73 MAPT (0.57) CES1SRCLMNAALDH1A1HDAC1
Trifluoromethanesulfonic Acid SCHEMBL9626708 0.73 CES1 (0.48) CES1SRCCA12CA1CA2
SCHEMBL1476483 0.72 CES1 (0.56) CES1SRCCA12CA1CA2
SCHEMBL15519395 0.72 CES1 (0.56) CES1SRCCA12CA1CA2
SCHEMBL1666976 0.72 CES1 (0.61) CES1SRCCA12CA1CA2
SCHEMBL1508202 0.72 CES1 (0.56) CES1SRCCA12CA1CA2
SCHEMBL4729691 0.71 CES1 (0.55) CES1SRCCA12CA1CA2

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-20250199401-A1 RESIN COMPOSITION, CURED PRODUCT, ELECTRONIC COMPONENT, AND DISPLAY DEVICE TORAY INDUSTRIES, INC. (JP) 2025-06-19 US disclosed