SCHEMBL31722261

SCHEMBL31722261

CC12C=CC(C)(O1)C1C(=O)N(CCCCCCCCCCCC(=O)O)C(=O)C12

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 4/20 0.50
PTGS2 P35354 4/20 0.50
CACNA1B Q00975 7/20 0.44
APBA1 Q02410 7/20 0.44
LMNA P02545 2/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
ALDH1A1 P00352 1/20 0.40
TP53 P04637 1/20 0.40
HPGD P15428 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
RAB9A P51151 1/20 0.40
ATM Q13315 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
KDM4E B2RXH2 3/20 0.40
MEN1 O00255 1/20 0.40
GAA P10253 1/20 0.40
KMT2A Q03164 1/20 0.40
BACE1 P56817 1/20 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
SCHEMBL15043600 0.88 KDM4E (0.49) CACNA1BAPBA1LMNASMN1; SMN2ALDH1A1
SCHEMBL24728884 0.81 CACNA1B (0.44) CACNA1BAPBA1LMNASMN1; SMN2ALDH1A1
SCHEMBL15043595 0.79 CACNA1B (0.48) PTGS1PTGS2CACNA1BAPBA1LMNA
SCHEMBL15043607 0.77 CACNA1B (0.49) CACNA1BAPBA1LMNASMN1; SMN2ALDH1A1
SCHEMBL18371516 0.75 PTGS1 (0.58) PTGS1PTGS2LMNASMN1; SMN2ALDH1A1
SCHEMBL21441627 0.75 CACNA1B (0.50) CACNA1BAPBA1LMNASMN1; SMN2ALDH1A1
SCHEMBL15011528 0.72 PTGS1 (0.58) PTGS1PTGS2LMNASMN1; SMN2MAPK1
SCHEMBL15431833 0.71 CACNA1B (0.46) CACNA1BAPBA1LMNAALDH1A1TP53
SCHEMBL20654532 0.71 ALDH1A1 (0.41) PTGS1PTGS2SMN1; SMN2ALDH1A1TP53
SCHEMBL31278 0.70 KDM4E (0.52) PTGS1PTGS2LMNAALDH1A1MAPK1

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-2025229086-A1 ADHESIVE COSMETIC COMPOUNDS AND USES THEREOF SKINOSIVE (FR) 2025-11-06 WO disclosed