SCHEMBL7361176

SCHEMBL7361176

C[C@H]1OC(Br)[C@@H](OC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ LGALS9 O00182 1/20 0.42
▸ LGALS1 P09382 1/20 0.42
▸ LGALS3 P17931 1/20 0.42
▸ LGALS7; LGALS7B P47929 1/20 0.42
▸ PTPN1 P18031 1/20 0.41
▸ TSHR P16473 1/20 0.41
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ GAA P10253 1/20 0.39
▸ F2 P00734 1/20 0.39
▸ LMNA P02545 1/20 0.39
▸ CHRNA7 P36544 2/20 0.38
▸ HTR3E A5X5Y0 1/20 0.38
▸ HTR3B O95264 1/20 0.38
▸ HTR3A P46098 1/20 0.38
▸ HTR3D Q70Z44 1/20 0.38
▸ HTR3C Q8WXA8 1/20 0.38
▸ BCHE P06276 1/20 0.38
▸ APOBEC3A P31941 1/20 0.38
▸ APOBEC3G Q9HC16 1/20 0.38

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
SCHEMBL15520935 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL4664095 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL14268495 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL16815111 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL5035219 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL4826392 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL14293980 1.00 LGALS9 (0.42) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL19646640 0.89 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL12618658 0.89 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1
SCHEMBL17682036 0.89 TSHR (0.47) LGALS9LGALS1LGALS3LGALS7; LGALS7BPTPN1

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
US-5783677-A FORMING INTERMEDIATES BY TREATING 6-DEOXY-A-L-MANNOPYRANOSYL BROMIDE AND 2,3,4-TRI-O-BENZOATE WITH DIMETHYLSULFOXIDE, A BASE, AND A SOLVENT PROCTER & GAMBLE PHARMACEUTICALS, INC. 1998-07-21 — — US disclosed
US-5721217-A 14-AMINOANDROSTANE COMPOUNDS AS INOTROPIC AGENT TREATING CONGESTIVE HEART FAILURE THE PROCTER & GAMBLE COMPANY (US) 1998-02-24 — — US disclosed
CN-1135757-A Novel deoxy and oxygen-substituted sugar-containing 14-aminosteroid compounds PROCTER & GAMBLE (US) 1996-11-13 — — CN disclosed
EP-0720616-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1996-07-10 — — EP disclosed
WO-1995008558-A1 NOVEL DEOXY AND OXYGEN-SUBSTITUTED SUGAR-CONTAINING 14-AMINOSTEROID COMPOUNDS THE PROCTER & GAMBLE COMPANY (US) 1995-03-30 — — WO disclosed
Send feedback