SCHEMBL28677605

SCHEMBL28677605

OB(O)OCc1ccc(O)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ IDO1 P14902 2/20 0.52
▸ ESR1 P03372 4/20 0.48
▸ ESR2 Q92731 2/20 0.48
▸ ABAT P80404 1/20 0.44
▸ KMT2A Q03164 3/20 0.43
▸ MEN1 O00255 2/20 0.43
▸ CA2 P00918 3/20 0.42
▸ APP P05067 1/20 0.42
▸ KDM4E B2RXH2 2/20 0.41
▸ ALDH1A1 P00352 2/20 0.41
▸ SLC6A2 P23975 2/20 0.41
▸ CYP2C19 P33261 2/20 0.41
▸ HTR1A P08908 1/20 0.41
▸ ADRA2A P08913 1/20 0.41
▸ HTR3A P46098 1/20 0.41
▸ BACE1 P56817 1/20 0.41
▸ TAAR1 Q96RJ0 1/20 0.41
▸ L3MBTL1 Q9Y468 1/20 0.41
▸ LMNA P02545 2/20 0.40
▸ HIF1A Q16665 2/20 0.40

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
SCHEMBL25397498 0.81 IDO1 (0.52) IDO1ESR1ESR2APP
SCHEMBL28900090 0.81 ALDH1A1 (0.44) IDO1KMT2AMEN1APPALDH1A1
SCHEMBL28150816 0.81 IDO1 (0.52) IDO1KMT2ACA2APPKDM4E
SCHEMBL17484610 0.81 AGXT (0.52) IDO1KMT2AMEN1CA2KDM4E
SCHEMBL2025672 0.80 TSHR (0.52) IDO1KMT2ACA2ALDH1A1SLC6A2
Boric Acid SCHEMBL28556682 0.78 TSHR (0.50) IDO1KMT2ACA2ALDH1A1SLC6A2
SCHEMBL6273725 0.78 IDO1 (0.55) IDO1CA2APPNPC1CA12
SCHEMBL31532974 0.76 MAOB (0.47) IDO1CA2L3MBTL1NPC1CA12
SCHEMBL31468282 0.76 ALDH1A1 (0.51) CA2ALDH1A1NPC1CA12CA1
SCHEMBL27666521 0.76 ALDH1A1 (0.44) IDO1KMT2AMEN1ALDH1A1LMNA

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-113896188-A Preparation method of boron-doped graphene heat-conducting film 中国科学院兰州化学物理研究所 2022-01-07 — — CN claimed
CN-113896188-A Preparation method of boron-doped graphene heat-conducting film 中国科学院兰州化学物理研究所 2022-01-07 — — CN disclosed
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