SCHEMBL8936214

SCHEMBL8936214

C[C@H](CO)C1(O)CCCC1

nearest known ligand 0.33

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.33
TDP1 Q9NUW8 1/20 0.32
SLC6A2 P23975 6/20 0.31
SLC6A4 P31645 6/20 0.31
OPRM1 P35372 1/20 0.31
SLC6A3 Q01959 1/20 0.31

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
SCHEMBL8936051 1.00 TSHR (0.33) TSHRTDP1SLC6A2SLC6A4OPRM1
SCHEMBL28846516 0.97 SLC6A2 (0.33) TSHRSLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL15722781 0.95
SCHEMBL17483748 0.89
SCHEMBL26860298 0.79 TSHR (0.32) TSHRSLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL27511467 0.77 SLC6A2 (0.33) TSHRSLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL4640298 0.77 SLC6A2 (0.33) TSHRSLC6A2SLC6A4OPRM1SLC6A3
SCHEMBL6561568 0.75 TSHR (0.33) TSHR
SCHEMBL28563452 0.74 TSHR (0.33) TSHRTDP1
SCHEMBL20016757 0.73 TSHR (0.32) TSHRSLC6A2SLC6A4OPRM1SLC6A3

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
EP-0549318-B1 26,27-Dimethylene-1 alpha, 25-dihydroxyvitamin D2 and 26,27-dihydroxyvitamin D2 and methods for preparing same WISCONSIN ALUMNI RES FOUND (US) 1996-10-16 EP disclosed
US-5494906-A TREATING METABOLIC BONE DISEASE WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1996-02-27 US disclosed
US-5478955-A Chemical intermediates WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1995-12-26 US disclosed
US-5397775-A 26,27-dimethylene-1α,25-dihydroxyvitamin D2 and 26,27-dimethylene-24-epi-1α,25-dihydroxyvitamin D2 and methods for preparing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1995-03-14 US disclosed
EP-0549318-A2 26,27-Dimethylene-1 alpha, 25-dihydroxyvitamin D2 and 26,27-dihydroxyvitamin D2 and methods for preparing same WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1993-06-30 EP disclosed