SCHEMBL24990899

SCHEMBL24990899

CCCC(O)C(O)c1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AOC3 Q16853 6/20 0.61
LMNA P02545 2/20 0.50
SLC6A2 P23975 3/20 0.48
SLC6A4 P31645 3/20 0.48
SLC6A3 Q01959 3/20 0.48
ADRA2C P18825 2/20 0.48
KDM4E B2RXH2 2/20 0.48
ADRA2A P08913 1/20 0.48
HIF1A Q16665 1/20 0.48
ALDH1A1 P00352 2/20 0.47
CYP3A4 P08684 2/20 0.45
CYP2D6 P10635 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA1A P35348 1/20 0.45
RGS12 O14924 1/20 0.45
GLA P06280 1/20 0.45
CYP2C9 P11712 1/20 0.45
PKM P14618 1/20 0.45
ALOX15 P16050 1/20 0.45
TSHR P16473 1/20 0.45

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
SCHEMBL6267212 0.86 CSNK1E (0.54) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL19391254 0.84 CSNK1E (0.57) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL10327288 0.84 CSNK1E (0.57) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL18759601 0.83 LMNA (0.56) AOC3LMNASLC6A2SLC6A4ADRA2C
SCHEMBL18087746 0.82 LMNA (0.60) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL6939841 0.82 LMNA (0.60) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL14402548 0.81 AOC3 (0.50) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL20738581 0.81 AOC3 (0.50) AOC3LMNAADRA2CKDM4EADRA2A
SCHEMBL7531733 0.81 AOC3 (0.59) AOC3LMNASLC6A2SLC6A4SLC6A3
SCHEMBL13849318 0.81 AOC3 (0.50) AOC3LMNAADRA2CKDM4EADRA2A

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023014979-A9 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-04-27 WO disclosed
WO-2023014979-A1 CONJUGATES COMPRISING COVALENT BINDERS FOR TARGETING INTRACELLULAR KRAS G12C PROTEINS RAYZEBIO, INC. (US) 2023-02-09 WO disclosed