SCHEMBL25214864

SCHEMBL25214864

C=C(C)C(C)C(C)(C)C(C(=O)OCC)C(=O)OCC

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.37
LMNA P02545 1/20 0.37
HSD17B10 Q99714 1/20 0.37
MMP8 P22894 1/20 0.34
TSHR P16473 2/20 0.33
HPGD P15428 1/20 0.32
THRB P10828 1/20 0.32
ALOX15 P16050 1/20 0.31
MGAM O43451 1/20 0.31
GAA P10253 1/20 0.31
SI P14410 1/20 0.31
MGAM2 Q2M2H8 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C19 P33261 1/20 0.31
SOAT1 P35610 1/20 0.31
METAP2 P50579 1/20 0.31
METAP1 P53582 1/20 0.31
CPB2 Q96IY4 1/20 0.30
KDM4E B2RXH2 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL25229117 0.81 SMN1; SMN2 (0.34) ALDH1A1TSHR
SCHEMBL14906992 0.78 ALDH1A1 (0.40) ALDH1A1LMNAHSD17B10MMP8HPGD
Acetamide SCHEMBL18762485 0.76 ALOX15 (0.41) ALDH1A1LMNAHSD17B10MMP8HPGD
SCHEMBL25517692 0.73 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MMP8HPGD
SCHEMBL18762464 0.72 ALDH1A1 (0.39) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL11058541 0.71 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10TSHRHPGD
SCHEMBL334770 0.71 ALDH1A1 (0.46) ALDH1A1LMNAHSD17B10MMP8ALOX15
SCHEMBL28436056 0.71 ALDH1A1 (0.50) ALDH1A1LMNAHSD17B10TSHRHPGD
SCHEMBL9785160 0.70 ALDH1A1 (0.37) ALDH1A1LMNAHSD17B10MMP8TSHR
SCHEMBL4149915 0.70 ALDH1A1 (0.44) ALDH1A1LMNAHSD17B10MMP8THRB

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4436946-A1 PREPARATION OF ALPHA-NECRODYL ISOBUTYRATE FROM DIENES Suterra, LLC (US) 2024-10-02 EP disclosed
WO-2023096997-A1 PREPARATION OF ALPHA-NECRODYL ISOBUTYRATE FROM DIENES SUTERRA, LLC (US) 2023-06-01 WO disclosed
WO-2023096997-A1 PREPARATION OF ALPHA-NECRODYL ISOBUTYRATE FROM DIENES SUTERRA, LLC (US) 2023-06-01 WO disclosed