SCHEMBL27078205

SCHEMBL27078205

O=C(O)C1(c2ccc(OCc3ccccc3)cc2)CCCC1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.63
KMT2A Q03164 1/20 0.63
TSHR P16473 1/20 0.63
AKR1C1 Q04828 1/20 0.60
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
RORC P51449 1/20 0.52
LMNA P02545 1/20 0.51
CYP1A2 P05177 1/20 0.51
PTGS1 P23219 1/20 0.51
SLC6A2 P23975 1/20 0.51
CYP2C19 P33261 1/20 0.51
PTGS2 P35354 1/20 0.51
SLC6A3 Q01959 1/20 0.51
HIF1A Q16665 1/20 0.51
HDAC6 Q9UBN7 1/20 0.51
MAOB P27338 1/20 0.51
PARP10 Q53GL7 1/20 0.51
SRD5A2 P31213 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
SCHEMBL21874210 0.99 MEN1 (0.62) MEN1KMT2ATSHRAKR1C1NR4A1
SCHEMBL14347698 0.94 NR4A1 (0.57) MEN1KMT2ATSHRAKR1C1NR4A1
SCHEMBL23163539 0.87 MMP1 (0.53) MEN1KMT2ATSHRNR4A1NR4A2
SCHEMBL21101819 0.87 NR4A1 (0.50) MEN1KMT2ATSHRNR4A1NR4A2
SCHEMBL21873974 0.86 ADAM17 (0.49) MEN1KMT2ATSHRNR4A1NR4A2
SCHEMBL23164194 0.86 NPC1 (0.52) MEN1KMT2ATSHRNR4A1NR4A2
SCHEMBL7810973 0.85 AKR1C1 (0.55) KMT2AAKR1C1NR4A2MAOBSRD5A2
SCHEMBL25315317 0.84 NR4A1 (0.53) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL21874358 0.83 NR4A1 (0.51) NR4A1NR4A2NR4A3LMNACYP1A2
SCHEMBL14347696 0.82 MAOB (0.59) NR4A1NR4A2NR4A3LMNACYP1A2

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-4038052-B1 PROSTAGLANDIN E2 (PGE2) EP4 RECEPTOR ANTAGONISTS DOMAIN THERAPEUTICS (FR) 2024-02-07 EP disclosed
CN-114555573-A Prostaglandin E2(PGE2)EP4Receptor antagonists 多曼治疗学公司 2022-05-27 CN disclosed