SCHEMBL29385381

SCHEMBL29385381

NC1(c2ccccc2)C=CC=CC1=C1C=CC(C(=O)O)(C(=O)O)C=C1

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
AKR1C1 Q04828 1/20 0.30

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
SCHEMBL30632004 0.66 HCAR3 (0.30)
SCHEMBL27836949 0.62
SCHEMBL2496691 0.60
Hydrochloric Acid SCHEMBL6767358 0.58
SCHEMBL4072354 0.57 PNMT (0.38)
SCHEMBL27660328 0.57 HSD11B1 (0.35) AKR1C1
SCHEMBL8752629 0.57 MAOB (0.32)
SCHEMBL17707789 0.56 AKR1C1 (0.33) AKR1C1
SCHEMBL27648178 0.56 LMNA (0.34) AKR1C1
Urea SCHEMBL10593912 0.56 MAOB (0.32) AKR1C1

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-112044459-B Punicallyid porous nickel-based phosphide nano-structure material and preparation method and application thereof 中山大学 2022-02-18 CN claimed
CN-112044459-B Punicallyid porous nickel-based phosphide nano-structure material and preparation method and application thereof 中山大学 2022-02-18 CN disclosed