SCHEMBL23754658

SCHEMBL23754658

O=C(OCc1ccccc1)c1cccc(F)c1C(=O)OCc1ccccc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.61
TDP1 Q9NUW8 4/20 0.59
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
L3MBTL1 Q9Y468 5/20 0.52
TSHR P16473 2/20 0.52
CYP3A4 P08684 2/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.51
LMNA P02545 2/20 0.49
KDM4E B2RXH2 3/20 0.48
RAB9A P51151 2/20 0.48
GAA P10253 1/20 0.48
STAT1 P42224 1/20 0.48
CASP3 P42574 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
NPC1 O15118 1/20 0.47

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
SCHEMBL20083707 0.90 TDP1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6282722 0.89 ALDH1A1 (0.71) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL521687 0.87 ALDH1A1 (0.69) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL27867043 0.86 ALDH1A1 (0.63) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6832765 0.84 TDP1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6833168 0.84 TDP1 (0.64) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL29067021 0.84 ALDH1A1 (0.75) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL6614027 0.83 TDP1 (0.51) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL24874101 0.83 TDP1 (0.51) ALDH1A1TDP1SLC6A2SLC6A3KMT2A
SCHEMBL26773019 0.83 ALDH1A1 (0.59) ALDH1A1TDP1SLC6A2SLC6A3KMT2A

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
WO-2021162493-A1 PROTEIN KINASE DEGRADATION INDUCING COMPOUND, AND USE THEREOF 보로노이 주식회사 2021-08-19 WO disclosed
WO-2021162493-A1 PROTEIN KINASE DEGRADATION INDUCING COMPOUND, AND USE THEREOF 보로노이 주식회사 2021-08-19 WO disclosed