SCHEMBL7865769

SCHEMBL7865769

CCCC(=O)c1c(C)cc(C)cc1C

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.45
FASN P49327 2/20 0.45
MAPT P10636 1/20 0.45
MAPK1 P28482 1/20 0.45
HPGD P15428 3/20 0.44
ALOX15 P16050 1/20 0.44
TSHR P16473 1/20 0.44
RECQL P46063 1/20 0.44
HSD17B10 Q99714 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 3/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
THRB P10828 3/20 0.43
THRA P10827 1/20 0.43
GAA P10253 2/20 0.42
HSD17B3 P37058 1/20 0.41
POLB P06746 2/20 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
SCHEMBL9857264 0.94 MEN1 (0.42) ALDH1A1FASNMAPTMAPK1HPGD
SCHEMBL10751402 0.88 FASN (0.51) ALDH1A1FASNHPGDALOX15TSHR
SCHEMBL15135859 0.83 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1HPGDRECQL
SCHEMBL5885909 0.83 ALDH1A1 (0.45) ALDH1A1MAPTMAPK1HPGDLMNA
SCHEMBL11210247 0.82 MEN1 (0.50) ALDH1A1MAPTMAPK1HPGDTSHR
SCHEMBL8215067 0.81 KMT2A (0.55) ALDH1A1MAPTMAPK1TSHRLMNA
SCHEMBL9598950 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1HPGDLMNA
SCHEMBL5997078 0.81 ALDH1A1 (0.44) ALDH1A1MAPTMAPK1HPGDLMNA
SCHEMBL11053483 0.79 MEN1 (0.51) ALDH1A1MAPTMAPK1HPGDLMNA
SCHEMBL7193838 0.79 ALDH1A1 (0.42) ALDH1A1MAPTMAPK1HPGDLMNA

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
US-6300360-B1 FOR THERAPY OF STRESS RELATED DISORDERS SUCH AS POST TRAUMATIC STRESS DISORDER (PTSD) AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION 2001-10-09 US disclosed
US-6127399-A TREATING POST TRAUMATIC STRESS DISORDER AS WELL AS DEPRESSION, HEADACHE AND ANXIETY NEUROGEN CORPORATION (US) 2000-10-03 US disclosed
US-5973152-A Certain pyrazole derivatives as corticotropin-releasing factor receptor CRF1 specific ligands NEUROGEN CORPORATION 1999-10-26 US disclosed
EP-0941223-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1999-09-15 EP disclosed
US-5760225-A DIAGNOSIS AND TREATMENT OF STRESS DISORDERS AND DEPRESSION NEUROGEN CORPORATION (US) 1998-06-02 US disclosed
WO-1998021200-A1 CERTAIN PYRAZOLE DERIVATIVES AS CORTICOTROPIN-RELEASING FACTOR RECEPTOR CRF1 SPECIFIC LIGANDS NEUROGEN CORPORATION (US) 1998-05-22 WO disclosed