SCHEMBL31728652

SCHEMBL31728652

O=C(O)[C@@H]1C[C@H]1c1ccc(OCc2ccccc2)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 2/20 0.58
CYP4A11 Q02928 2/20 0.58
FFAR1 O14842 5/20 0.57
KDM1A O60341 4/20 0.55
MAOB P27338 4/20 0.55
MAOA P21397 3/20 0.55
RAB9A P51151 1/20 0.54
NR4A1 P22736 1/20 0.54
NR4A2 P43354 1/20 0.54
NR4A3 Q92570 1/20 0.54
S1PR5 Q9H228 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

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
SCHEMBL527236 1.00 CYP4F2 (0.58) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL18923955 1.00 CYP4F2 (0.58) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL527235 1.00 CYP4F2 (0.58) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL18923951 0.89 KCNH2 (0.58) CYP4F2CYP4A11KDM1AMAOBMAOA
SCHEMBL3749297 0.88 FFAR1 (0.71) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL13043524 0.88 FFAR1 (0.71) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL19609293 0.87 CYP4F2 (0.57) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL15687569 0.87 MAOB (0.52) CYP4F2CYP4A11FFAR1KDM1AMAOB
SCHEMBL1100308 0.87 FFAR1 (0.69) CYP4F2CYP4A11FFAR1MAOA
SCHEMBL2774821 0.86 MAOB (0.54) KDM1AMAOBMAOARAB9ANR4A1

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
WO-2025235516-A1 DEVELOPMENT OF LYSINE-SPECIFIC DEMETHYLASE 1 (LSD1) INHIBITORS AS ANTI-CANCER REAGENTS THE BOARD OF REGENTS OF THE NEVADA SYSTEM OF HIGHER EDUCATION ON BEHALF OF THE UNIVERSITY OF NEVADA, LAS VEGAS (US) 2025-11-13 WO disclosed