SCHEMBL11117971

SCHEMBL11117971

CC#Cc1ccccc1NC(=O)O

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.46
KDM4E B2RXH2 5/20 0.46
LMNA P02545 2/20 0.46
GAA P10253 4/20 0.44
HPGD P15428 5/20 0.42
MEN1 O00255 3/20 0.42
KMT2A Q03164 3/20 0.42
L3MBTL1 Q9Y468 3/20 0.42
CYP1A2 P05177 2/20 0.42
CYP3A4 P08684 2/20 0.42
CYP2D6 P10635 2/20 0.42
MAPT P10636 2/20 0.42
CYP2C9 P11712 2/20 0.42
CYP2C19 P33261 2/20 0.42
HSD17B10 Q99714 2/20 0.42
TSHR P16473 2/20 0.42
MAPK1 P28482 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
NPC1 O15118 1/20 0.41
RAB9A P51151 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
SCHEMBL13683487 0.82 GAA (0.45) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL18983569 0.81 KDM4E (0.67) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL18485622 0.80 ALDH1A1 (0.49) ALDH1A1KDM4ELMNAGAAMEN1
SCHEMBL14448754 0.80 PDK1 (0.51) ALDH1A1KDM4ELMNAMEN1KMT2A
SCHEMBL672474 0.77 ALDH1A1 (0.47) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL483417 0.77 GAA (0.46) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL4766358 0.77 GAA (0.69) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL19211781 0.76 KDM4C (0.39) CYP1A2CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL1226530 0.75 SMN1; SMN2 (0.54) ALDH1A1KDM4ELMNAGAAHPGD
SCHEMBL29519193 0.75 SMN1; SMN2 (0.54) ALDH1A1KDM4ELMNAGAAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO claimed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP claimed
EP-3663366-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS SYMRISE AG (DE) 2025-01-08 EP disclosed
EP-4469439-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2024-12-04 EP disclosed
EP-4247791-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME Symrise AG (DE) 2023-09-27 EP disclosed
EP-3675809-B1 USE OF PHYSIOLOGICAL COOLING INGREDIENTS AND AGENTS CONTAINING SUCH ACTIVE INGREDIENTS BASF SE (DE) 2023-09-27 EP disclosed
WO-2023144326-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
WO-2023143741-A1 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2023-08-03 WO disclosed
WO-2023078794-A1 BIOCIDAL POLYMER BLEND LANXESS DEUTSCHLAND GMBH (DE) 2023-05-11 WO disclosed
EP-4176721-A1 BIOCIDAL POLYMER BLENDS LANXESS Deutschland GmbH (DE) 2023-05-10 EP disclosed
WO-2022106452-A2 NEW COOLANTS, AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO disclosed
WO-2022105986-A1 NOVEL COOLING AGENTS AND PREPARATIONS CONTAINING SAME SYMRISE AG (DE) 2022-05-27 WO disclosed
US-4482759-A Fungicidally active benzhydrol derivatives DEGUSSA AKTIENGESELLSCHAFT (DE) 1984-11-13 US disclosed