SCHEMBL7753172

SCHEMBL7753172

CC(=O)OC1CC[C@@]2(C)C(=CC[C@H]3[C@@H]4CC[C@H]([C@H](C)CCCC(C)(C)O)[C@@]4(C)CC[C@@H]32)C1

nearest known ligand 0.78

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NR1H3 Q13133 2/20 0.78
▸ NPC1L1 Q9UHC9 5/20 0.76
▸ OSBP P22059 2/20 0.73
▸ RORC P51449 2/20 0.73
▸ OSBP2 Q969R2 2/20 0.73
▸ CRYAB P02511 1/20 0.73
▸ HMGCR P04035 1/20 0.73
▸ ITGB3 P05106 1/20 0.73
▸ ITGAV P06756 1/20 0.73
▸ SREBF2 Q12772 1/20 0.73
▸ CYP1A2 P05177 1/20 0.69
▸ GRIN1 Q05586 4/20 0.67
▸ GRIN2B Q13224 3/20 0.67
▸ GRIN2A Q12879 3/20 0.67
▸ POLA1 P09884 1/20 0.65
▸ CYP46A1 Q9Y6A2 2/20 0.63
▸ MEN1 O00255 1/20 0.61
▸ KMT2A Q03164 1/20 0.61
▸ TDP1 Q9NUW8 1/20 0.61
▸ NPC1 O15118 1/20 0.60

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
SCHEMBL31504646 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL11868717 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL8561190 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL10784914 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL11650951 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL23312299 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL8636407 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL8561197 1.00 NR1H3 (0.78) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL16140022 0.96 GRIN1 (0.73) NR1H3NPC1L1OSBPRORCOSBP2
SCHEMBL14770981 0.96 GRIN1 (0.73) NR1H3NPC1L1OSBPRORCOSBP2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1077992-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 2001-02-28 — — EP disclosed
WO-1999058549-A1 MEIOSIS REGULATING COMPOUNDS NOVO NORDISK A/S (DK) 1999-11-18 — — WO disclosed
EP-0084199-B1 METHOD OF PREPARING DELTA 5,7-STEROIDS DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1987-04-29 — — EP disclosed
US-4464298-A Method of preparing Δ5,7-steroids DUPHAR INTERNATIONAL RESEARCH B.V. (NL) 1984-08-07 — — US disclosed
EP-0084199-A1 Method of preparing delta 5,7-steroids DUPHAR INTERNATIONAL RESEARCH B.V (NL) 1983-07-27 — — EP disclosed
US-4226770-A Synthesis of steroids KAISER EMIL T 1980-10-07 — — US disclosed
US-4163744-A Synthesis of steroids KAISER EMIL T 1979-08-07 — — US disclosed
US-4022768-A Process for preparation of 1α,25-dihydroxycholecalciferol WISCONSIN ALUMNI RESEARCH FOUNDATION (US) 1977-05-10 — — US disclosed
US-3936478-A Process for the preparation of desmosterol derivatives TEIJIN LIMITED (JA) 1976-02-03 — — US disclosed
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