SCHEMBL9453028

SCHEMBL9453028

OCCCCCCOc1ccc(OCc2ccccc2)cc1

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LTA4H P09960 1/20 0.70
EPHX2 P34913 1/20 0.70
RAB9A P51151 4/20 0.62
SMN1; SMN2 Q16637 3/20 0.62
NPC1 O15118 3/20 0.62
HTT P42858 2/20 0.62
LMNA P02545 2/20 0.61
CYP1A2 P05177 1/20 0.61
PTGS1 P23219 1/20 0.61
SLC6A2 P23975 1/20 0.61
CYP2C19 P33261 1/20 0.61
PTGS2 P35354 1/20 0.61
SLC6A3 Q01959 1/20 0.61
HIF1A Q16665 1/20 0.61
HDAC6 Q9UBN7 1/20 0.61
MGLL Q99685 1/20 0.58
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
L3MBTL1 Q9Y468 2/20 0.55
GAA P10253 1/20 0.55

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
SCHEMBL16705571 1.00 LTA4H (0.70) LTA4HEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL10438662 0.98 LTA4H (0.72) LTA4HEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL7433717 0.93 LTA4H (0.74) LTA4HEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL7036584 0.91 MGLL (0.67) LTA4HEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL9453126 0.88 CYP4F2 (0.64) LTA4HEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL9451327 0.87 ALDH1A1 (0.69) LTA4HEPHX2RAB9ASMN1; SMN2NPC1
SCHEMBL7367359 0.86 LTA4H (0.87) LTA4HEPHX2LMNACYP1A2PTGS1
SCHEMBL8888466 0.86 LTA4H (0.87) LTA4HEPHX2LMNACYP1A2PTGS1
SCHEMBL10405807 0.86 LTA4H (0.87) LTA4HEPHX2LMNACYP1A2PTGS1
SCHEMBL9254006 0.86 LTA4H (0.87) LTA4HEPHX2LMNACYP1A2PTGS1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4939173-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-03 US claimed
EP-0373587-A2 Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP claimed
CN-115304502-B FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2024-10-18 CN disclosed
CN-115304502-A FOXM1 inhibitor and preparation method and application thereof 中国医学科学院医药生物技术研究所 2022-11-08 CN disclosed
US-5177108-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1993-01-05 US disclosed
US-5077315-A Treatment of HIV virus MERRELL DOW PHARMACEUTICALS (US) 1991-12-31 US disclosed
US-4939173-A Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-07-03 US disclosed
EP-0373587-A2 Aryloxy alkanols as anti-retrovirus agents MERRELL DOW PHARMACEUTICALS INC. (US) 1990-06-20 EP disclosed