SCHEMBL7825883

SCHEMBL7825883

CCOC(=O)c1c(C)oc2cc(F)c(O)cc12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.55
GAA P10253 2/20 0.55
MEN1 O00255 2/20 0.55
KMT2A Q03164 2/20 0.55
NPC1 O15118 1/20 0.55
CYP1A2 P05177 1/20 0.55
CYP3A4 P08684 1/20 0.55
CYP2C9 P11712 1/20 0.55
CYP2C19 P33261 1/20 0.55
RECQL P46063 1/20 0.55
PTGS2 P35354 6/20 0.53
TSHR P16473 5/20 0.53
MAPK1 P28482 4/20 0.52
L3MBTL1 Q9Y468 3/20 0.52
HTT P42858 2/20 0.52
TDP1 Q9NUW8 2/20 0.52
PKM P14618 1/20 0.52
ALDH1A1 P00352 4/20 0.51
LMNA P02545 2/20 0.51
KDM4E B2RXH2 2/20 0.50

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
SCHEMBL16654485 0.88 MAPT (0.60) MAPTGAAMEN1KMT2ANPC1
SCHEMBL24471135 0.86 MAPT (0.58) MAPTGAAMEN1KMT2ANPC1
SCHEMBL29713131 0.86 MAPT (0.58) MAPTGAAMEN1KMT2ANPC1
SCHEMBL31604971 0.85 PTGS2 (0.52) MAPTGAAMEN1KMT2ANPC1
SCHEMBL29713164 0.83 KMT2A (0.58) MAPTGAAMEN1KMT2ANPC1
SCHEMBL24470709 0.83 KMT2A (0.58) MAPTGAAMEN1KMT2ANPC1
SCHEMBL16797452 0.82 TSHR (0.61) MAPTGAAMEN1KMT2ANPC1
SCHEMBL29104693 0.81 LMNA (0.46) GAAMEN1KMT2ACYP3A4HTT
SCHEMBL17959917 0.81 TSHR (0.58) MAPTGAAPTGS2TSHRMAPK1
SCHEMBL17959882 0.81 TSHR (0.54) MAPTGAAPTGS2TSHRMAPK1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-4259613-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS Katholieke Universiteit Leuven KU Leuven Research & Development (BE) 2023-10-18 EP disclosed
CN-116761796-A Aryl derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-15 CN disclosed
CN-116745283-A Heterocyclic derivatives for the treatment of TRPM3 mediated disorders 勒芬天主教大学 2023-09-12 CN disclosed
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
WO-2022112352-A1 HETEROCYCLE DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
WO-2022112345-A1 ARYL DERIVATIVES FOR TREATING TRPM3 MEDIATED DISORDERS KATHOLIEKE UNIVERSITEIT LEUVEN (BE) 2022-06-02 WO disclosed
EP-1144415-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2001-10-17 EP disclosed
WO-2000042045-A2 FUNCTIONALIZED HETEROCYCLES AS CHEMOKINE RECEPTOR MODULATORS WARNER-LAMBERT COMPANY (US) 2000-07-20 WO disclosed