SCHEMBL8870588

SCHEMBL8870588

c1cc2c(cc1[Bi](c1ccc3c(c1)OCCO3)c1ccc3c(c1)OCCO3)OCCO2

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 3/20 0.52
MAPT P10636 2/20 0.52
HTT P42858 2/20 0.52
BLM P54132 1/20 0.52
ITGB2 P05107 1/20 0.46
ICAM1 P05362 1/20 0.46
ITGAL P20701 1/20 0.46
KDM4E B2RXH2 2/20 0.45
GAA P10253 1/20 0.45
TSHR P16473 1/20 0.44
ALOX5 P09917 1/20 0.44
ADRA2A P08913 1/20 0.42
ADRA2B P18089 1/20 0.42
ADRA2C P18825 1/20 0.42
MAOB P27338 2/20 0.42
POLB P06746 1/20 0.41
CRHBP P24387 2/20 0.41
CRHR2 Q13324 2/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
NPC1 O15118 1/20 0.40

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
SCHEMBL6351358 0.86 CYP3A4 (0.52) MAPTHTTGAAMAOBPOLB
SCHEMBL8718726 0.76 PRKCI (0.50) MAPTSMN1; SMN2NPC1PKMPKLR
SCHEMBL661042 0.73 MAPT (0.87) LMNAMAPTHTTBLMITGB2
SCHEMBL1722920 0.73 TSHR (0.50) LMNAMAPTHTTBLMITGB2
SCHEMBL29472049 0.73 TSHR (0.50) LMNAMAPTHTTBLMITGB2
SCHEMBL15677665 0.72 ALOX5 (0.72) LMNAMAPTHTTBLMITGB2
SCHEMBL9037655 0.71 MAPT (0.83) LMNAMAPTHTTBLMITGB2
SCHEMBL27382541 0.69 ITGB2 (0.53) LMNAMAPTHTTBLMITGB2
SCHEMBL2924947 0.68 CTNNB1 (0.53) LMNAMAPTHTTBLMITGB2
SCHEMBL746125 0.68 CYP3A4 (0.74) LMNAMAPTHTTBLMITGB2

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
US-5693648-A TREATMENT OF AUTOIMMUNE DISEASES, INFECTIOUS DISEASES, PREVENTING REJECTION OF ORGAN TRANSPLANTS MERCK & CO., INC. (US) 1997-12-02 US disclosed
US-5565560-A TREATING AUTOIMMUNE DISEASES, PREVENTING TRANSPLANT REJECTION MERCK & CO., INC. (US) 1996-10-15 US disclosed
US-5532248-A O-aryl,O-alkyl, and O-alkenyl-macrolides having immunosuppressive activity MERCK CO., INC. (US) 1996-07-02 US disclosed
US-5262533-A Autoimmune diseases or prevention of organ rejection or antiinflammatory agents MERCK & CO., INC. (US) 1993-11-16 US disclosed
US-5250678-A For autoimmune, infectious diseases, organ transplant rejection; skin diseases, antiinflammatory agents MERCK & CO., INC. (US) 1993-10-05 US disclosed
WO-1992020688-A1 AMINO O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL MACROLIDES MERCK & CO., INC. (US) 1992-11-26 WO disclosed
EP-0515071-A2 O-aryl, O-alkyl, O-alkenyl and O-alkynylmacrolides having immunosuppressive activity MERCK & CO. INC. (US) 1992-11-25 EP disclosed