SCHEMBL8769443

SCHEMBL8769443

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nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ VDR P11473 5/20 0.80
▸ MAPT P10636 5/20 0.78
▸ SMN1; SMN2 Q16637 3/20 0.78
▸ SREBF1 P36956 1/20 0.78
▸ MEN1 O00255 3/20 0.66
▸ KMT2A Q03164 3/20 0.66
▸ ALDH1A1 P00352 3/20 0.66
▸ CYP3A4 P08684 3/20 0.66
▸ ALOX15 P16050 3/20 0.66
▸ PGR P06401 2/20 0.66
▸ ADORA3 P0DMS8 2/20 0.66
▸ TDP1 Q9NUW8 1/20 0.66
▸ CDC25A P30304 1/20 0.66
▸ HSPD1 P10809 1/20 0.66
▸ HPGD P15428 1/20 0.66
▸ TBXA2R P21731 1/20 0.66
▸ PTGS1 P23219 1/20 0.66
▸ GLRA1 P23415 1/20 0.66
▸ DRD3 P35462 1/20 0.66
▸ HSPE1 P61604 1/20 0.66

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
SCHEMBL6037770 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18023064 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL12517774 1.00 VDR (0.80) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL18021746 0.91 VDR (0.72) VDRMAPTSMN1; SMN2SREBF1MEN1
SCHEMBL10349035 0.89 VDR (0.74) VDRMAPTSMN1; SMN2SREBF1PGR
Maxacalcitol SCHEMBL24066887 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL7084224 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL20460962 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL20460998 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3
Maxacalcitol SCHEMBL5153671 0.89 VDR (1.00) VDRMAPTSMN1; SMN2PGRADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-2028114-A — — None — — JP disclosed
EP-0619304-B1 22-OXACHOLECALCIFEROL DERIVATIVE AND PRODUCTION THEREOF CHUGAI PHARMACEUTICAL CO LTD (JP) 1997-09-10 — — EP disclosed
US-5436401-A 22-oxacholecalciferol derivative and process for preparing the same CHUGAI SEIYAKU KABUSHIKI KAISHA (JP) 1995-07-25 — — US disclosed
EP-0619304-A1 22-OXACHOLECALCIFEROL DERIVATIVE AND PRODUCTION THEREOF Chugai Seiyaku Kabushiki Kaisha (JP) 1994-10-12 — — EP disclosed
JP-H0228114-A REMEDY FOR NEPHRITIS CHUGAI PHARMACEUT CO LTD 1990-01-30 — — JP disclosed
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