SCHEMBL24675147

SCHEMBL24675147

C=C(CC)c1cccc(C(C)C(C)C)c1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.36
PTGS2 P35354 4/20 0.36
ALDH1A1 P00352 3/20 0.36
MAPT P10636 2/20 0.36
CXCR1 P25024 2/20 0.36
CXCR2 P25025 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
RECQL P46063 1/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 1/20 0.36
CYP3A4 P08684 1/20 0.36
HPGD P15428 1/20 0.36
MAPK1 P28482 1/20 0.36
PMP22 Q01453 1/20 0.36
SLC22A6 Q4U2R8 1/20 0.36
HSD17B10 Q99714 1/20 0.36
CXCL8 P10145 1/20 0.36
THPO P40225 1/20 0.36
HIF1A Q16665 1/20 0.36
HDAC4 P56524 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
SCHEMBL2260448 0.79 SMN1; SMN2 (0.38) SMN1; SMN2HPGDHSD17B10ATM
SCHEMBL8464443 0.75 GAA (0.36) ALDH1A1MAPTSMN1; SMN2LMNAHPGD
SCHEMBL24802100 0.73 ANPEP (0.54) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL15181323 0.73 ANPEP (0.54) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL25071257 0.73 ANPEP (0.54) PTGS1PTGS2ALDH1A1MAPTCXCR1
SCHEMBL30313875 0.72 CA12 (0.47) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL9627367 0.72 CA12 (0.47) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL8460946 0.72 FURIN (0.34) ALDH1A1MAPTSMN1; SMN2KDM4ELMNA
SCHEMBL4706020 0.72 C1S (0.48) ALDH1A1MAPTKDM4EHPGDMAPK1
SCHEMBL8444352 0.72 HPGD (0.50) ALDH1A1MAPTSMN1; SMN2HPGDHDAC8

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-2022159688-A1 DEGRADERS OF GRK2 AND USES THEREOF CYGNAL THERAPEUTICS, INC. (US) 2022-07-28 WO disclosed