SCHEMBL31447441

SCHEMBL31447441

COC(=O)CNCC(=O)O.O=Cc1cccc(OB(O)O)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAOA P21397 6/20 0.40
MAOB P27338 6/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
TDP1 Q9NUW8 1/20 0.40
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
SRC P12931 1/20 0.39
UNG P13051 1/20 0.36
LMNA P02545 1/20 0.36
AKR1B1 P15121 1/20 0.35
SMN1; SMN2 Q16637 2/20 0.35
KDM4E B2RXH2 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
KMT2A Q03164 1/20 0.35
FFAR1 O14842 1/20 0.35
FOS P01100 1/20 0.34
JUN P05412 1/20 0.34

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
SCHEMBL31447517 1.00 MAOA (0.40) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL29188505 0.85 CYP3A4 (0.40) NPC1RAB9ALMNAFFAR1
SCHEMBL31447496 0.85 ALDH1A1 (0.40) NPC1RAB9AALDH1A1LMNAKDM4E
SCHEMBL423723 0.80 SRC (0.56) MAOAMAOBNPC1RAB9ATDP1
SCHEMBL31174360 0.78 MAPT (0.42) NPC1RAB9AALDH1A1POLBLMNA
SCHEMBL31236256 0.76 PTGDR2 (0.51) NPC1RAB9AALDH1A1POLBSRC
SCHEMBL28506489 0.76 LTA4H (0.38) ALDH1A1LMNAGAAMAPTKMT2A
SCHEMBL31598738 0.76 MAPT (0.35) ALDH1A1LMNAKDM4EGAAMAPT
SCHEMBL31174359 0.76 MEN1 (0.38) ALDH1A1LMNASMN1; SMN2KDM4EKMT2A
SCHEMBL1959473 0.72 CYSLTR2 (0.57) MAOAMAOBNPC1RAB9ATDP1

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
CN-119505509-A Flame-retardant polycarbonate composite material and preparation method thereof 北京理工大学 2025-02-25 CN disclosed