SCHEMBL8715211

SCHEMBL8715211

N=C(OC/C=C/C1CCCCC1)C(Cl)(Cl)Cl

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
CACNA1B Q00975 1/20 0.33

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
Cyclohexane SCHEMBL9488552 0.75
SCHEMBL29018522 0.72 CACNA1B (0.40) CACNA1B
Cyclohexane SCHEMBL8719141 0.71 ALDH1A1 (0.31)
SCHEMBL9998013 0.70 CACNA1B (0.40) CACNA1B
SCHEMBL4996746 0.70 CACNA1B (0.40) CACNA1B
SCHEMBL8715654 0.69
SCHEMBL1646209 0.68 CACNA1B (0.38) CACNA1B
SCHEMBL28450584 0.68 CACNA1B (0.38) CACNA1B
SCHEMBL11828728 0.68 MAPT (0.41) CACNA1B
SCHEMBL11838533 0.68 MAPT (0.41) CACNA1B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0722448-A4 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO INC (US) 1998-04-29 EP disclosed
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
EP-0722448-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO. INC. (US) 1996-07-24 EP disclosed
US-5532248-A O-aryl,O-alkyl, and O-alkenyl-macrolides having immunosuppressive activity MERCK CO., INC. (US) 1996-07-02 US disclosed
WO-1995009857-A1 O-ARYL, O-ALKYL, O-ALKENYL AND O-ALKYNYL-MACROLIDES HAVING IMMUNOSUPPRESSIVE ACTIVITY MERCK & CO., INC. (US) 1995-04-13 WO disclosed
US-5250678-A For autoimmune, infectious diseases, organ transplant rejection; skin diseases, antiinflammatory agents MERCK & CO., INC. (US) 1993-10-05 US 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