SCHEMBL27433747

SCHEMBL27433747

CCC(=O)OCc1cccc(C(C)C)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.45
ALDH1A1 P00352 5/20 0.41
MAPK1 P28482 1/20 0.41
L3MBTL1 Q9Y468 1/20 0.41
KDM4E B2RXH2 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
HPGD P15428 2/20 0.40
HDAC4 P56524 2/20 0.40
HDAC8 Q9BY41 2/20 0.40
ALOX15 P16050 2/20 0.40
PTGER3 P43115 1/20 0.40
LMNA P02545 1/20 0.40
MDM4 O15151 1/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
TP53 P04637 1/20 0.40
CYP3A4 P08684 1/20 0.40
MAPT P10636 1/20 0.40
TYR P14679 1/20 0.40
ALOX12 P18054 1/20 0.40

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
SCHEMBL13498025 0.86 MRGPRX4 (0.44) MRGPRX4ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL5936393 0.85 ALDH1A1 (0.50) MRGPRX4ALDH1A1MAPK1L3MBTL1KDM4E
SCHEMBL10053141 0.84 ALDH1A1 (0.58) MRGPRX4ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL19245035 0.81 MRGPRX4 (0.42) MRGPRX4ALDH1A1L3MBTL1KDM4EPTGER3
SCHEMBL21805199 0.80 ALDH1A1 (0.46) ALDH1A1MAPK1L3MBTL1KDM4EHPGD
SCHEMBL25760326 0.80 IDO1 (0.52) ALDH1A1MAPK1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL11703597 0.79 MMP2 (0.54) ALDH1A1MAPK1L3MBTL1KDM4EHPGD
SCHEMBL1691249 0.78 L3MBTL1 (0.43) ALDH1A1MAPK1L3MBTL1KDM4ESMN1; SMN2
SCHEMBL8006943 0.78 AOC3 (0.50) MRGPRX4ALDH1A1KDM4ESMN1; SMN2HPGD
SCHEMBL14416816 0.78 THRA (0.44) ALDH1A1MAPK1L3MBTL1KDM4ESMN1; SMN2

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-2024086744-A2 COMPOSITIONS AND USES THEREOF SOLVE THERAPEUTICS, INC. (US) 2024-04-25 WO disclosed