SCHEMBL17824220

SCHEMBL17824220

C[C@@]12CCC[C@H]1[C@@H]1CCc3cc(OCC(=O)O)cc(O)c3[C@H]1CC2

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SHBG P04278 1/20 0.53
STS P08842 3/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA9 Q16790 1/20 0.39
HSD17B1 P14061 6/20 0.39
MAPT P10636 3/20 0.38
LMNA P02545 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HIF1A Q16665 1/20 0.38
ESR1 P03372 2/20 0.38
ALOX15 P16050 2/20 0.37
TSHR P16473 1/20 0.37
HSD17B10 Q99714 1/20 0.37
HRH3 Q9Y5N1 2/20 0.37
KCNH2 Q12809 1/20 0.37
MAPK1 P28482 2/20 0.36
USP2 O75604 1/20 0.36

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
SCHEMBL17824221 0.80 SHBG (0.58) SHBGSTSKDM4EALDH1A1CA2
SCHEMBL8571107 0.76 SHBG (0.60) SHBGSTSKDM4EHSD17B1MAPT
SCHEMBL7163758 0.74 SHBG (0.66) SHBGSTSALDH1A1HSD17B1MAPT
SCHEMBL10439848 0.74 SHBG (0.65) SHBGSTSALDH1A1HSD17B1MAPT
SCHEMBL6869789 0.73 STS (0.64) SHBGSTSCA2CA9
SCHEMBL9238183 0.73 SHBG (0.52) SHBGSTSKDM4EHSD17B1ESR1
SCHEMBL7587734 0.73 SHBG (0.64) SHBGSTSHSD17B1MAPTLMNA
SCHEMBL11577794 0.73 HSD17B1 (0.58) SHBGSTSKDM4EALDH1A1CA1
SCHEMBL8088835 0.72 SHBG (0.54) SHBGSTSKDM4EHSD17B1MAPT
SCHEMBL28373123 0.72 SHBG (0.81) SHBGSTSALDH1A1HSD17B1MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3436039-A1 POLYMORPHIC FORMS OF AN OXYSTEROL AND METHODS OF MAKING THEM Warsaw Orthopedic, Inc. (US) 2019-02-06 EP disclosed
EP-3436025-A1 METHODS FOR THE SEPARATION AND DETECTION OF AN OXYSTEROL Warsaw Orthopedic, Inc. (US) 2019-02-06 EP disclosed
WO-2018213055-A1 OXYSTEROL-STATIN COMPOUNDS FOR BONE GROWTH WARSAW ORTHOPEDIC, INC. (US) 2018-11-22 WO disclosed
EP-3229809-A1 COMPOUNDS AND METHODS INVOLVING STEROLS Warsaw Orthopedic, Inc. (US) 2017-10-18 EP disclosed
WO-2017172615-A1 POLYMORPHIC FORMS OF AN OXYSTEROL AND METHODS OF MAKING THEM WARSAW ORTHOPEDIC, INC. (US) 2017-10-05 WO disclosed
WO-2017172612-A1 METHODS FOR THE SEPARATION AND DETECTION OF AN OXYSTEROL WARSAW ORTHOPEDIC, INC. (US) 2017-10-05 WO disclosed
WO-2016094421-A1 COMPOUNDS AND METHODS INVOLVING STEROLS WARSAW ORTHOPEDIC, INC. (US) 2016-06-16 WO disclosed