SCHEMBL31437014

SCHEMBL31437014

CC/C=C\CCCOS(C)(=O)=O

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.56
ALOX15 P16050 3/20 0.56
TSHR P16473 2/20 0.56
KDM4E B2RXH2 2/20 0.56
LMNA P02545 2/20 0.56
USP2 O75604 1/20 0.56
MMP9 P14780 1/20 0.56
LPAR3 Q9UBY5 4/20 0.42
LPAR2 Q9HBW0 3/20 0.42
LPAR1 Q92633 1/20 0.42
ADORA3 P0DMS8 2/20 0.41
NR1I2 O75469 2/20 0.41
PTGS2 P35354 2/20 0.41
PGR P06401 1/20 0.41
PDE4D Q08499 1/20 0.41
CYP3A4 P08684 2/20 0.39
HSD17B10 Q99714 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
F7 P08709 3/20 0.37
CYP19A1 P11511 3/20 0.37

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
SCHEMBL16503992 0.94 ALDH1A1 (0.50) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL23294916 0.92 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL21626134 0.92 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL8985903 0.92 ALDH1A1 (0.58) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL1551778 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL1551776 0.89 ALDH1A1 (0.54) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL11006753 0.88 TSHR (0.56) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL11006757 0.88 TSHR (0.56) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL3490050 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRKDM4ELMNA
SCHEMBL247028 0.87 ALDH1A1 (0.52) ALDH1A1ALOX15TSHRKDM4ELMNA

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-2025038855-A1 IONIZABLE LIPIDS WITH BRANCHED HEAD GROUPS BEAM THERAPEUTICS INC. (US) 2025-02-20 WO disclosed