SCHEMBL8886754

SCHEMBL8886754

COc1cc(C(=O)OC(C)C)ccc1OC(C)C

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.55
MAPT P10636 3/20 0.55
MAPK1 P28482 1/20 0.55
CA12 O43570 3/20 0.54
CA1 P00915 3/20 0.54
CA2 P00918 3/20 0.54
CA7 P43166 3/20 0.54
CA9 Q16790 3/20 0.54
CA14 Q9ULX7 3/20 0.54
TSHR P16473 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP3A4 P08684 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
NPC1 O15118 2/20 0.50
RAB9A P51151 2/20 0.50
HPGD P15428 1/20 0.50
TP53 P04637 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
CA4 P22748 1/20 0.50

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
SCHEMBL799903 0.92 TSHR (0.61) ALDH1A1MAPTCA12CA1CA2
SCHEMBL6568018 0.89 MAPT (0.66) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL5466423 0.83 ALDH1A1 (0.56) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL1015345 0.83 CA12 (0.73) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL7684319 0.83 MAPT (0.77) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL29171433 0.83 TSHR (0.66) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL25139437 0.82 HIF1A (0.53) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL28663604 0.82 MAPT (0.66) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL24812339 0.82 MAPK1 (0.62) ALDH1A1MAPTMAPK1CA12CA1
SCHEMBL2567410 0.82 ALDH1A1 (0.53) ALDH1A1MAPTMAPK1CA12CA1

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
WO-2025030240-A1 USE OF A MODIFIED ACID IN DUAL PURPOSE BIOMASS DELIGNIFICATION SIXRING INC. (CA) 2025-02-13 WO disclosed
US-5686406-A Vanillic acid ester perfuming agents RHONE-POULENC CHIMIE (FR) 1997-11-11 US disclosed