SCHEMBL31380604

SCHEMBL31380604

C/C(=C/c1cccc(C)c1)CCC=O

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.42
TDP1 Q9NUW8 1/20 0.42
FBP1 P09467 1/20 0.41
NPC1 O15118 2/20 0.41
CASP3 P42574 1/20 0.41
SENP8 Q96LD8 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
SENP6 Q9GZR1 1/20 0.41
ALOX5 P09917 1/20 0.39
PTGS1 P23219 1/20 0.39
PTGS2 P35354 1/20 0.39
KMT2A Q03164 3/20 0.39
PKM P14618 1/20 0.39
MAOA P21397 3/20 0.36
MAOB P27338 3/20 0.36
KDM4E B2RXH2 2/20 0.36
ALDH1A1 P00352 2/20 0.36
LMNA P02545 2/20 0.36
RAB9A P51151 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36

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
SCHEMBL2246918 1.00 TP53 (0.42) TP53TDP1FBP1NPC1CASP3
SCHEMBL2246921 1.00 TP53 (0.42) TP53TDP1FBP1NPC1CASP3
SCHEMBL31380622 1.00 TP53 (0.42) TP53TDP1FBP1NPC1CASP3
SCHEMBL2238736 0.81 TSHR (0.52) TDP1FBP1KMT2AKDM4EALDH1A1
SCHEMBL2238734 0.81 TSHR (0.52) TDP1FBP1KMT2AKDM4EALDH1A1
SCHEMBL27839800 0.80 NOS1 (0.40) ALDH1A1SMN1; SMN2HPGD
SCHEMBL2240798 0.80 CYP2A6 (0.43) FBP1NPC1PTGS2KMT2ALMNA
SCHEMBL2240794 0.80 CYP2A6 (0.43) FBP1NPC1PTGS2KMT2ALMNA
SCHEMBL2243080 0.80 CYP2A6 (0.43) FBP1NPC1PTGS2KMT2ALMNA
SCHEMBL2320112 0.78 TP53 (0.48) TP53TDP1FBP1NPC1CASP3

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
EP-4735616-A2 PROCESS FOR PREPARING GAMMA,DELTA-UNSATURATED ALDEHYDES DERIVATIVES Firmenich SA (CH) 2026-05-06 EP disclosed
WO-2025003017-A2 PROCESS FOR PREPARING GAMMA,DELTA-UNSATURATED ALDEHYDES DERIVATIVES FIRMENICH SA (CH) 2025-01-02 WO disclosed