SCHEMBL28857791

SCHEMBL28857791

O=C(NC(=O)c1ccccc1OCc1ccccc1)NC1CCCCC1

nearest known ligand 0.82

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
SGMS2 Q8NHU3 3/20 0.82
MEN1 O00255 3/20 0.80
KMT2A Q03164 3/20 0.80
ALDH1A1 P00352 2/20 0.80
PPIA P62937 1/20 0.65
CNR2 P34972 3/20 0.58
CNR1 P21554 2/20 0.58
EPHX1 P07099 1/20 0.52
HPGD P15428 1/20 0.52
NPC1 O15118 1/20 0.52
FAAH O00519 1/20 0.52
GAA P10253 1/20 0.51
RAB9A P51151 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
SCHEMBL29908365 0.88 SGMS2 (0.67) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL8035583 0.83 SGMS2 (0.58) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL8037216 0.83 SGMS2 (0.58) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL8035606 0.82 SGMS2 (0.56) SGMS2MEN1KMT2AALDH1A1CNR2
SCHEMBL8041228 0.79 SGMS2 (0.53) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL27817521 0.79 PPIA (1.00) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL28397953 0.78 MEN1 (0.79) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL8038995 0.78 ALDH1A1 (0.52) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL8037213 0.77 MEN1 (0.51) SGMS2MEN1KMT2AALDH1A1PPIA
SCHEMBL4147984 0.75 SGMS2 (0.67) SGMS2MEN1KMT2AALDH1A1PPIA

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
CN-115028679-B PROTAC compound with Cyclophilin A degradation activity and preparation method and application thereof 深圳湾实验室 2022-11-15 CN disclosed
CN-115028679-A PROTAC compound with Cyclophilin A degradation activity and preparation method and application thereof 深圳湾实验室 2022-09-09 CN disclosed