SCHEMBL8185089

SCHEMBL8185089

CCN1c2ccc(C=O)cc2Oc2cc(C=O)ccc21

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.41
HSD17B10 Q99714 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
ALDH1A3 P47895 7/20 0.39
PTGER4 P35408 3/20 0.39
ALDH3A1 P30838 2/20 0.37
MEN1 O00255 1/20 0.37
GAA P10253 1/20 0.37
MAPT P10636 1/20 0.37
HPGD P15428 1/20 0.37
KMT2A Q03164 1/20 0.37
CYP2A6 P11509 2/20 0.36
SLC1A3 P43003 1/20 0.36
SLC1A2 P43004 1/20 0.36
SLC1A1 P43005 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
CFTR P13569 1/20 0.34
TSHR P16473 1/20 0.34
KIF11 P52732 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
SCHEMBL29773798 1.00 ALDH1A1 (0.41) ALDH1A1HSD17B10TDP1ALDH1A3PTGER4
SCHEMBL4633656 0.92 SLC1A3 (0.45) ALDH1A1HSD17B10TDP1ALDH1A3MEN1
SCHEMBL28597701 0.76 ALDH1A1 (0.44) ALDH1A1HSD17B10TDP1ALDH1A3ALDH3A1
SCHEMBL29773802 0.76 ALDH1A1 (0.39) ALDH1A1ALDH1A3PTGER4ALDH3A1MEN1
SCHEMBL8185277 0.76 ALDH1A1 (0.39) ALDH1A1ALDH1A3PTGER4ALDH3A1MEN1
SCHEMBL8184596 0.74 PTGS2 (0.39) ALDH1A1MAPTHPGDSLC1A3SLC1A2
SCHEMBL13212459 0.74 MAPK1 (0.42) ALDH1A1TDP1MEN1GAAMAPT
SCHEMBL8711483 0.73 ALDH1A1 (0.43) ALDH1A1HSD17B10TDP1ALDH1A3MEN1
SCHEMBL23573065 0.73 AHR (0.48) ALDH1A1TDP1MEN1MAPTHPGD
SCHEMBL31443280 0.73 AHR (0.48) ALDH1A1TDP1MEN1MAPTHPGD

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-113402764-B Recyclable multifunctional dynamic covalent polymer aerogel material and preparation method and application thereof 上海交通大学 2022-07-15 CN disclosed
CN-113402764-A Recyclable multifunctional dynamic covalent polymer aerogel material and preparation method and application thereof 上海交通大学 2021-09-17 CN disclosed
US-6083651-A SOLUBLE IN POLYMERIC BINDERS TAKASAGO INTERNATIONAL CORPORATION (JP) 2000-07-04 US disclosed
US-5942615-A GOOD SOLUBILITY IN BINDER POLYMERS, SENSITIVITY, AND LOW RESIDUAL POTENTIAL TAKASAGO INTERNATIONAL CORPORATION (JP) 1999-08-24 US disclosed