SCHEMBL8090430

SCHEMBL8090430

C=C1CC[C@H](O[Si](C)(C)C(C)(C)C)C/C1=C/C=C1\CCC[C@]2(C)[C@@H]([C@H](C)CO)CC[C@@H]12

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.57
SMN1; SMN2 Q16637 2/20 0.57
SREBF1 P36956 1/20 0.57
VDR P11473 5/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
ALDH1A1 P00352 3/20 0.56
CYP3A4 P08684 3/20 0.56
ALOX15 P16050 3/20 0.56
HSPD1 P10809 2/20 0.56
PTGS1 P23219 2/20 0.56
HSPE1 P61604 2/20 0.56
PGR P06401 2/20 0.56
ADORA3 P0DMS8 2/20 0.56
TDP1 Q9NUW8 1/20 0.56
CDC25A P30304 1/20 0.56
HPGD P15428 1/20 0.56
TBXA2R P21731 1/20 0.56
GLRA1 P23415 1/20 0.56
DRD3 P35462 1/20 0.56

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
SCHEMBL14112585 0.92 MAPT (0.56) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL20461000 0.91 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL20461021 0.91 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL18023732 0.91 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL18021750 0.91 ALDH1A1 (0.54) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL5433646 0.90 VDR (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL5437551 0.90 VDR (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL8769851 0.90 MAPT (0.60) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL7264390 0.89 VDR (0.69) MAPTSMN1; SMN2SREBF1VDRMEN1
SCHEMBL25313435 0.88 VDR (0.54) MAPTSMN1; SMN2VDRPGRADORA3

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-6043385-A TREATMENT OF PSORIASIS, BASAL CELL CARCINOMAS, DISORDERS OF KERATINIZATION AND KERATOSIS, NEOPLASTIC DISEASES SUCH AS LEUKEMIA, DISORDERS OF THE SEBACEOUS GLANDS SUCH AS ACNE AND SEBORRHOIC DERMATITIS, OSTEOPOROSIS, HYPERPARATHYROIDISM HOFFMAN-LA ROCHE INC. (US) 2000-03-28 US disclosed