SCHEMBL28010219

SCHEMBL28010219

CN(C)C1(O)C=CC(C=CC(=O)c2ccccc2)=C(O)C1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 2/20 0.43
MAPT P10636 5/20 0.42
CYP1B1 Q16678 4/20 0.42
BCHE P06276 3/20 0.42
MAOB P27338 3/20 0.42
LMNA P02545 2/20 0.42
PLIN1 O60240 1/20 0.42
TNFRSF1A P19438 1/20 0.42
ACHE P22303 1/20 0.42
PLIN5 Q00G26 1/20 0.42
ABHD5 Q8WTS1 1/20 0.42
CYP3A4 P08684 4/20 0.41
KMT2A Q03164 3/20 0.41
RAB9A P51151 3/20 0.41
HSPD1 P10809 2/20 0.41
HSPE1 P61604 2/20 0.41
NFKB1 P19838 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
PKM P14618 1/20 0.41

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
SCHEMBL30385151 1.00 RECQL (0.43) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL6270921 0.84 MAPT (0.46) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL29945646 0.84 MAPT (0.46) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL6534548 0.81 MAPT (0.43) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL27762378 0.80 MAPT (0.44) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL27929731 0.77 MAPT (0.38) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL3892109 0.72 KMT2A (0.42) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL28043095 0.72 MAOB (0.36) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL28068255 0.71 MAOB (0.46) RECQLMAPTCYP1B1BCHEMAOB
SCHEMBL1576393 0.71 BCHE (0.41) MAPTBCHELMNAACHEKMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-104447556-B A kind of compound with analgesic activity and preparation method thereof SOUTH-CENTRAL UNIVERSITY FOR NATIONALITIES (CN) 2016-05-18 CN claimed
CN-104447556-A Compound with analgesic effect and preparation method thereof UNIV SOUTH CENTRAL NATIONALITI 2015-03-25 CN claimed
CN-111992200-B Lithium doped solid base catalyst and preparation method and application thereof 中南林业科技大学 2023-04-28 CN disclosed
CN-111992200-A Lithium-doped solid base catalyst and preparation method and application thereof 中南林业科技大学 2020-11-27 CN disclosed
CN-104447556-B A kind of compound with analgesic activity and preparation method thereof SOUTH-CENTRAL UNIVERSITY FOR NATIONALITIES (CN) 2016-05-18 CN disclosed
CN-104447556-A Compound with analgesic effect and preparation method thereof UNIV SOUTH CENTRAL NATIONALITI 2015-03-25 CN disclosed