SCHEMBL29324237

SCHEMBL29324237

CCCC(=O)OCSc1ccccc1C(=O)NCCn1ccc(=O)c2cc3c(cc21)OCO3

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.43
HPGD P15428 3/20 0.43
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
PDE4A P27815 1/20 0.40
PDE4B Q07343 1/20 0.40
PDE4C Q08493 1/20 0.40
PDE4D Q08499 1/20 0.40
CNR2 P34972 1/20 0.39
MAPT P10636 5/20 0.39
KDM4E B2RXH2 2/20 0.39
KMT2A Q03164 2/20 0.38
MEN1 O00255 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
POLR1A O95602 1/20 0.37
USP2 O75604 1/20 0.37
MAPK1 P28482 1/20 0.37
HSD17B10 Q99714 1/20 0.37
LMNA P02545 2/20 0.36

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
SCHEMBL29324231 0.89 HPGD (0.47) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL29324219 0.86 MAPT (0.41) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL31103624 0.81 PDE4A (0.47) ALDH1A1HPGDSMN1; SMN2PDE4APDE4B
SCHEMBL29324066 0.81 PDE4A (0.47) ALDH1A1HPGDSMN1; SMN2PDE4APDE4B
SCHEMBL29324061 0.80 PDE4A (0.44) ALDH1A1HPGDSMN1; SMN2PDE4APDE4B
SCHEMBL31103663 0.80 PDE4A (0.44) ALDH1A1HPGDSMN1; SMN2PDE4APDE4B
SCHEMBL31103622 0.74 ALDH1A1 (0.40) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL16554644 0.73 HPGD (0.47) ALDH1A1HPGDMAPTKDM4EKMT2A
SCHEMBL31103594 0.71 ALDH1A1 (0.36) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL10852270 0.68 PDE4A (0.64) ALDH1A1HPGDSMN1; SMN2PDE4APDE4B

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-4648770-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION The United States of America, as represented by the Secretary, Department of Health and Human Services (US) 2025-11-19 EP disclosed
WO-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed
WO-2024151425-A1 COMPOUNDS AND METHOD FOR TREATING HIV INFECTION THE UNITED STATES OF AMERICA, AS REPRESENTED BY THE SECRETARY, DEPARTMENT OF HEALTH AND HUMAN SERVICES (US) 2024-07-18 WO disclosed