SCHEMBL25933709

SCHEMBL25933709

C=C(C)C(=O)Oc1ccc(-c2ccc(-c3ccc(OC(=O)CC)c(OC(=O)C(=C)C)c3)cc2OC)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALOX15 P16050 1/20 0.40
HTT P42858 1/20 0.40
BACE1 P56817 1/20 0.39
FGFR1 P11362 2/20 0.38
VCP P55072 1/20 0.38
ELANE P08246 1/20 0.38
MAPT P10636 3/20 0.38
ALDH1A1 P00352 2/20 0.38
KDM4E B2RXH2 1/20 0.38
HPGD P15428 1/20 0.38
ESR1 P03372 2/20 0.36
HIF1A Q16665 2/20 0.36
HSD17B1 P14061 1/20 0.36
HSD17B2 P37059 1/20 0.36
KMT2A Q03164 4/20 0.36
ATM Q13315 2/20 0.36
RECQL P46063 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TSHR P16473 1/20 0.35
MAPK1 P28482 1/20 0.35

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
SCHEMBL18411553 0.93 HTT (0.41) HTTBACE1ELANEMAPTALDH1A1
SCHEMBL24440831 0.92 BACE1 (0.44) HTTBACE1ELANEMAPTALDH1A1
SCHEMBL21400894 0.91 FGFR1 (0.44) ALOX15HTTFGFR1VCPELANE
SCHEMBL19187389 0.90 ALOX15 (0.40) ALOX15HTTBACE1FGFR1VCP
SCHEMBL19623182 0.90 BACE1 (0.41) HTTBACE1ELANEMAPTKDM4E
SCHEMBL24180747 0.89 ALOX15 (0.46) ALOX15FGFR1VCPELANEMAPT
SCHEMBL18308840 0.87 BACE1 (0.47) HTTBACE1ELANEMAPTALDH1A1
SCHEMBL17625853 0.85 ELANE (0.47) BACE1ELANEMAPTALDH1A1KDM4E
SCHEMBL24170583 0.84 ELANE (0.42) ALOX15BACE1ELANEMAPTKDM4E
SCHEMBL24158061 0.84 PRKCZ (0.38) FGFR1MAPTRXFP1AKR1C3AKR1C2

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
EP-4056667-B1 LIQUID-CRYSTAL MEDIUM COMPRISING POLYMERIZABLE COMPOUNDS MERCK PATENT GMBH (DE) 2023-08-02 EP disclosed