SCHEMBL8700052

SCHEMBL8700052

CC1(C)C2CC=C(CCOC(=O)CI)C1C2

nearest known ligand 0.52

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.52
TDP1 Q9NUW8 4/20 0.44
TSHR P16473 2/20 0.44
KDM4E B2RXH2 2/20 0.44
HTT P42858 1/20 0.44
MAPK1 P28482 2/20 0.42
CXCR3 P49682 9/20 0.41
SCN9A Q15858 1/20 0.39
KMT2A Q03164 1/20 0.39
SMN1; SMN2 Q16637 1/20 0.39

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
SCHEMBL9723539 0.88 KCNH2 (0.56) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL9723418 0.88 KCNH2 (0.56) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL8698523 0.87 KCNH2 (0.52) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL17627703 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL1866120 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL11745664 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL17627701 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL4933865 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL132597 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT
SCHEMBL9723550 0.85 KCNH2 (0.55) KCNH2TDP1TSHRKDM4EHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5731320-A TREATING PATIENT IN NEED OF IMMUNOSUPPRESSIVE, ANTIINFLAMMATORY OR ANTIPROLIFERATIVE THERAPY ABBOTT LABORATORIES (US) 1998-03-24 US disclosed
US-5672605-A ADMINISTERING TO TREAT AUTOIMMUNE DISORDERS, TRANSPLANT REJECTION ABBOTT LABORATORIES (US) 1997-09-30 US disclosed
US-5643918-A MACROCYCLIC COMPOUNDS TO REVERSE DRUG RESISTANCE, VIRICIDES, ANTIINFLAMMATORY AGENTS AND FUNGICIDES ABBOTT LABORATORIES (US) 1997-07-01 US disclosed
US-5583139-A Marcolide immunomodulators ABBOTT LABORATORIES (US) 1996-12-10 US disclosed
US-5563172-A MICROBIOCIDES, FUNGICIDES, VIRICIDES, ANTIINFLAMMATORY AGENTS, ANTIGROWTH AGENTS ABBOTT LABORATORIES (US) 1996-10-08 US disclosed
EP-0729471-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS Abbott Laboratories (US) 1996-09-04 EP disclosed
US-5527907-A IMMUNOSUPPRESSANTS ABBOTT LABORATORIES (US) 1996-06-18 US disclosed
EP-0689545-A4 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LAB (US) 1996-04-24 EP disclosed
EP-0689545-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1996-01-03 EP disclosed
WO-1995014023-A1 SEMISYNTHETIC ANALOGS OF RAPAMYCIN (MACROLIDES) BEING IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1995-05-26 WO disclosed
WO-1994021642-A1 MACROCYCLIC AMIDE AND UREA IMMUNOMODULATORS ABBOTT LABORATORIES (US) 1994-09-29 WO disclosed