SCHEMBL4717890

SCHEMBL4717890

CC(C)(C)c1ccc(CNCCC23CC4CC(C2)CC(c2ccc(Cl)cc2)(C4)C3)cc1

nearest known ligand 0.50

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 4/20 0.50
KMT2A Q03164 4/20 0.50
LMNA P02545 2/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
HTT P42858 1/20 0.50
SPHK2 Q9NRA0 4/20 0.48
SPHK1 Q9NYA1 2/20 0.42
ALDH1A1 P00352 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2C19 P33261 1/20 0.38
RAD52 P43351 1/20 0.37
P2RX7 Q99572 1/20 0.36
CNR1 P21554 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL4718400 0.82 MEN1 (0.51) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548187 0.79 LMNA (0.52) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4715003 0.77 GRIN2D (0.48) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548412 0.77 HDAC6 (0.45) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548949 0.77 SPHK2 (0.74) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4716332 0.77 MEN1 (0.52) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4717867 0.75 OPRM1 (0.47) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1548830 0.73 SPHK2 (0.69) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL4716912 0.73 SPHK2 (0.52) MEN1KMT2ALMNASMN1; SMN2HTT
SCHEMBL1549039 0.72 LMNA (0.49) MEN1KMT2ALMNASMN1; SMN2HTT

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
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP claimed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO claimed
EP-3407912-A1 METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2018-12-05 EP disclosed
WO-2017129769-A1 METHODS FOR ENHANCING THE POTENCY OF THE IMMUNE CHECKPOINT INHIBITORS INSERM (Institut National de la Santé et de la Recherche Médicale) (FR) 2017-08-03 WO disclosed
EP-1904439-A2 SPHINGOSINE KINASE INHIBITORS Apogee Biothechnology Corporation (US) 2008-04-02 EP disclosed
WO-2006138660-A2 SPHINGOSINE KINASE INHIBITORS APOGEE BIOTECHNOLOGY CORPORATION (US) 2006-12-28 WO disclosed