SCHEMBL696314

SCHEMBL696314

COS(=O)(=O)c1c[c]ccc1

nearest known ligand 0.38

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
HTR6 P50406 2/20 0.32
CA12 O43570 1/20 0.31
CA1 P00915 1/20 0.31
CA2 P00918 1/20 0.31
CA9 Q16790 1/20 0.31
PSIP1 O75475 1/20 0.30
ALDH1A1 P00352 1/20 0.30
LMNA P02545 1/20 0.30
MAPT P10636 1/20 0.30
SMN1; SMN2 Q16637 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
SCHEMBL28055 0.77 ENPP2 (0.39) HTR6PSIP1
SCHEMBL5923176 0.76 HTR6 (0.48) HTR6CA12CA1CA2CA9
Water SCHEMBL28395492 0.76 HTR6 (0.48) HTR6CA12CA1CA2CA9
SCHEMBL9789810 0.76 TDP1 (0.51) CA12CA1CA2CA9ALDH1A1
SCHEMBL4602195 0.74 CA12 (0.34) CA12CA1CA2CA9LMNA
SCHEMBL23356361 0.73 DRD1 (0.32) HTR6PSIP1
SCHEMBL160580 0.73 PSIP1 (0.56) HTR6PSIP1ALDH1A1SMN1; SMN2
SCHEMBL94530 0.73 HTR6 (0.50) HTR6CA12CA1CA2CA9
SCHEMBL28129004 0.73 LOX (0.40) CA12CA1CA2CA9PSIP1
SCHEMBL6311791 0.72 HTR6 (0.33) HTR6CA12CA1CA2CA9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3714001-A1 PROCESS FOR PRODUCING PRESSURE-SENSITIVE REACTIVE ADHESIVE TAPES TESA SE (DE) 2020-09-30 EP disclosed
EP-2421613-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF The Procter & Gamble Company (US) 2012-02-29 EP disclosed
WO-2010123866-A2 KERATIN DYEING COMPOSITIONS COMPRISING A RADICAL SCAVENGER AND A CHELANT AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2010-10-28 WO disclosed