SCHEMBL31033261

SCHEMBL31033261

Nc1c(O)cccc1C(=O)OCc1ccccc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TDP1 Q9NUW8 6/20 0.73
ALDH1A1 P00352 4/20 0.61
G6PD P11413 1/20 0.54
CASP7 P55210 1/20 0.54
CASP6 P55212 1/20 0.54
SLC6A2 P23975 1/20 0.53
SLC6A3 Q01959 1/20 0.53
KMT2A Q03164 1/20 0.53
LMNA P02545 1/20 0.53
L3MBTL1 Q9Y468 5/20 0.52
TSHR P16473 3/20 0.52
CYP3A4 P08684 3/20 0.52
MAPK1 P28482 2/20 0.52
POLB P06746 1/20 0.51
RAB9A P51151 3/20 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
HIF1A Q16665 2/20 0.48

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
SCHEMBL23812437 0.90 ALDH1A1 (0.69) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL21027551 0.86 ALDH1A1 (0.73) TDP1ALDH1A1G6PDCASP7CASP6
SCHEMBL2005925 0.86 ALDH1A1 (0.63) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
Benzyl Salicylate SCHEMBL15573 0.85 TDP1 (1.00) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
Benzyl Salicylate SCHEMBL1871397 0.85 TDP1 (1.00) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
Benzyl Salicylate SCHEMBL30184766 0.85 TDP1 (1.00) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL30151861 0.84 TDP1 (0.78) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
SCHEMBL3790907 0.84 TDP1 (0.78) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
Benzyl Salicylate SCHEMBL7199160 0.83 TDP1 (0.96) TDP1ALDH1A1SLC6A2SLC6A3KMT2A
Benzyl Salicylate SCHEMBL27731147 0.83 TDP1 (0.96) TDP1ALDH1A1SLC6A2SLC6A3KMT2A

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118420558-B Zhu Gongjun acid derivative and preparation method and application thereof 济南爱思医药科技有限公司 2024-10-25 CN disclosed
CN-118420557-B Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-10-11 CN disclosed
CN-118420558-A Zhu Gongjun acid derivative and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-02 CN disclosed
CN-118420557-A Zhu Gongjun acid analogue, and preparation method and application thereof 济南爱思医药科技有限公司 2024-08-02 CN disclosed