SCHEMBL8947067

SCHEMBL8947067

C=C1CCC(O)C/C1=C/C=C1\CCC[C@]2(C)[C@@H](O)CC[C@@H]12

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 3/20 0.68
KMT2A Q03164 3/20 0.68
ALDH1A1 P00352 3/20 0.68
CYP3A4 P08684 3/20 0.68
ALOX15 P16050 3/20 0.68
MAPT P10636 3/20 0.68
HSPD1 P10809 2/20 0.68
PTGS1 P23219 2/20 0.68
HSPE1 P61604 2/20 0.68
SMN1; SMN2 Q16637 2/20 0.68
VDR P11473 2/20 0.68
ADORA3 P0DMS8 2/20 0.68
TDP1 Q9NUW8 1/20 0.68
CDC25A P30304 1/20 0.68
PGR P06401 1/20 0.68
HPGD P15428 1/20 0.68
TBXA2R P21731 1/20 0.68
GLRA1 P23415 1/20 0.68
DRD3 P35462 1/20 0.68
HSD17B10 Q99714 1/20 0.68

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
SCHEMBL17378376 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1894981 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL8947071 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL8946861 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL1894983 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL8946866 1.00 MEN1 (0.68) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL18784941 0.89 ALDH1A1 (0.65) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL12047743 0.89 ALDH1A1 (0.65) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL14533190 0.89 ALDH1A1 (0.65) MEN1KMT2AALDH1A1CYP3A4ALOX15
SCHEMBL18784967 0.86 ALDH1A1 (0.62) MEN1KMT2AALDH1A1CYP3A4ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5559107-A ANDROSTA-5,7-DIENE-3,17-DIOLS AND RING-OPENED DERIVATIVES GATES STEPHEN (US) 1996-09-24 US disclosed