SCHEMBL20168039

SCHEMBL20168039

COc1cc(CCC(=O)ON)cc(Cl)c1OC

nearest known ligand 0.51

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.49
KMT2A Q03164 8/20 0.49
MEN1 O00255 3/20 0.49
MAPT P10636 2/20 0.48
POLB P06746 1/20 0.47
ESR2 Q92731 1/20 0.47
HTR2A P28223 1/20 0.45
HTR2C P28335 1/20 0.45
HTR2B P41595 1/20 0.45
GAA P10253 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.44
GALR3 O60755 1/20 0.42
TDP1 Q9NUW8 1/20 0.42

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
SCHEMBL28320190 0.78 TRPV1 (0.50) KMT2AMEN1LMNA
SCHEMBL9250363 0.77 POLB (0.48) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL7378487 0.77 HTR2A (0.50) ALDH1A1KMT2AMEN1MAPTHTR2A
SCHEMBL5275044 0.77 HTR2A (0.76) KMT2AMEN1HTR2AHTR2CHTR2B
SCHEMBL7431362 0.77 MAPT (0.63) ALDH1A1KMT2AMEN1MAPTHTR2A
SCHEMBL8113403 0.76 ATM (0.57) ALDH1A1KMT2AMEN1POLB
SCHEMBL22274969 0.74 KMT2A (0.52) ALDH1A1KMT2AMEN1GAALMNA
SCHEMBL28853057 0.74 TRPV1 (0.54) ALDH1A1KMT2AMEN1MAPTPOLB
SCHEMBL2930056 0.73 HTR2A (0.59) KMT2AMEN1MAPTHTR2AHTR2C
SCHEMBL2979188 0.73 KMT2A (0.57) ALDH1A1KMT2AMEN1MAPTHTR2A

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
US-11931329-B2 Compositions and methods for treating anxiety-related disorders YAMO PHARMACEUTICALS LLC (US) 2024-03-19 US claimed
EP-3541411-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER Tyme, Inc. (US) 2019-09-25 EP disclosed
WO-2018093820-A1 PHARMACEUTICAL COMPOSITIONS AND METHODS FOR THE TREATMENT OF CANCER TYME, INC. (US) 2018-05-24 WO disclosed