SCHEMBL26679404

SCHEMBL26679404

O=C(O)CCC1OC(=O)c2ccc(-c3ccccc3)cc21

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 2/20 0.55
APEX1 P27695 1/20 0.48
TSHR P16473 1/20 0.46
PTGER4 P35408 2/20 0.43
PTGER3 P43115 2/20 0.43
PTGER1 P34995 1/20 0.43
PTGER2 P43116 1/20 0.43
FFAR1 O14842 2/20 0.41
LMNA P02545 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
CYP1A2 P05177 1/20 0.40
HIF1A Q16665 1/20 0.40
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
GAA P10253 1/20 0.39
ATM Q13315 2/20 0.39
EDNRB P24530 1/20 0.37
EDNRA P25101 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
SCHEMBL19302753 0.82 KDM4E (0.55) KDM4EAPEX1LMNACYP1A2MEN1
SCHEMBL30637106 0.82 APEX1 (0.49) KDM4EAPEX1TSHRATML3MBTL1
SCHEMBL31711209 0.82 APEX1 (0.49) KDM4EAPEX1TSHRMEN1KMT2A
SCHEMBL30637114 0.82 APEX1 (0.49) KDM4EAPEX1TSHRMEN1KMT2A
SCHEMBL30637088 0.80 APEX1 (0.54) KDM4EAPEX1TSHRCYP1A2ALDH1A1
SCHEMBL26679499 0.80 APEX1 (0.54) KDM4EAPEX1TSHRCYP1A2ALDH1A1
SCHEMBL31711021 0.76 APEX1 (0.43) KDM4EAPEX1TSHRKMT2A
SCHEMBL17580983 0.74 APEX1 (0.67) KDM4EAPEX1TSHRPTGER4PTGER3
SCHEMBL17580559 0.74 ATM (0.43) KDM4EAPEX1LMNARAB9ASMN1; SMN2
SCHEMBL31084326 0.74 MEN1 (0.44) KDM4ELMNARAB9ASMN1; SMN2MEN1

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-4522595-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS The Scripps Research Institute (US) 2025-03-19 EP disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed
WO-2023220559-A2 CATALYST-CONTROLLED SITE-SELECTIVE METHYLENE C-H LACTONIZATION OF DICARBOXYLIC ACIDS THE SCRIPPS RESEARCH INSTITUTE (US) 2023-11-16 WO disclosed