SCHEMBL7516578

SCHEMBL7516578

C=C1C[C@H](O)[C@H](O)C/C1=C/C=C1CCC[C@@]2(C)C1CC[C@@H]2[C@H](C)CCCC(C)C

nearest known ligand 0.81

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.81
KMT2A Q03164 3/20 0.81
MAPT P10636 3/20 0.81
CDC25A P30304 3/20 0.81
ALDH1A1 P00352 2/20 0.81
CYP3A4 P08684 2/20 0.81
ALOX15 P16050 2/20 0.81
ADORA3 P0DMS8 2/20 0.81
SMN1; SMN2 Q16637 2/20 0.81
VDR P11473 2/20 0.81
TDP1 Q9NUW8 1/20 0.81
PGR P06401 1/20 0.81
HSPD1 P10809 1/20 0.81
HPGD P15428 1/20 0.81
TBXA2R P21731 1/20 0.81
PTGS1 P23219 1/20 0.81
GLRA1 P23415 1/20 0.81
DRD3 P35462 1/20 0.81
HSPE1 P61604 1/20 0.81
HSD17B10 Q99714 1/20 0.81

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
SCHEMBL11129087 1.00 MEN1 (0.81) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL7523979 0.92 MEN1 (0.69) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL4612634 0.90 MAPT (0.82) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL4612636 0.90 MAPT (0.82) MEN1KMT2AMAPTCDC25AALDH1A1
SCHEMBL7514106 0.90 MAPT (0.82) MEN1KMT2AMAPTCDC25AALDH1A1
Cholecalciferol SCHEMBL23878716 0.90 MEN1 (1.00) MEN1KMT2AMAPTCDC25AALDH1A1
Cholecalciferol SCHEMBL2734123 0.90 MEN1 (1.00) MEN1KMT2AMAPTCDC25AALDH1A1
Cholecalciferol SCHEMBL13717177 0.90 MEN1 (1.00) MEN1KMT2AMAPTCDC25AALDH1A1
Cholecalciferol SCHEMBL20511118 0.90 MEN1 (1.00) MEN1KMT2AMAPTCDC25AALDH1A1
Cholecalciferol SCHEMBL21264875 0.90 MEN1 (1.00) MEN1KMT2AMAPTCDC25AALDH1A1

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
JP-58032823-A None JP disclosed
EP-1172442-A1 VITAMIN D DERIVATIVES AND PROCESS FOR PRODUCING THE SAME MERCIAN CORPORATION (JP) 2002-01-16 EP disclosed
JP-S5832823-A CANCER ELIMINATING AGENT CHUGAI PHARMACEUT CO LTD 1983-02-25 JP disclosed