SCHEMBL4265799

SCHEMBL4265799

CC1CCCC(C(=O)O)C1.O=C(O)C1CCCCCC1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RECQL P46063 1/20 0.42
BTK Q06187 1/20 0.41
CES2 O00748 1/20 0.41
CES1 P23141 1/20 0.41
TSHR P16473 4/20 0.38
ANPEP P15144 1/20 0.38
GABRP O00591 1/20 0.37
GABRD O14764 1/20 0.37
GABRA1 P14867 1/20 0.37
GABRB1 P18505 1/20 0.37
GABRG2 P18507 1/20 0.37
GABRB3 P28472 1/20 0.37
GABRA5 P31644 1/20 0.37
GABRA3 P34903 1/20 0.37
GABRA2 P47869 1/20 0.37
GABRB2 P47870 1/20 0.37
GABRA4 P48169 1/20 0.37
GABRE P78334 1/20 0.37
PMP22 Q01453 1/20 0.37
GABRA6 Q16445 1/20 0.37

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
SCHEMBL15343955 0.96 CES2 (0.44) RECQLBTKCES2CES1TSHR
SCHEMBL6128504 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL17476756 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL13711830 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL254912 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL14438406 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL14210997 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL10306770 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL16169552 0.94 BTK (0.44) RECQLBTKTSHRANPEPGABRP
SCHEMBL6914440 0.91 BTK (0.43) RECQLBTKTSHRANPEPGABRP

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2471797-B1 17-DESMETHYLRAPAMYCIN AND ANALOGUES THEREOF, METHODS FOR THEIR PRODUCTION AND THEIR USE AS IMMUNOSUPRESSANTS, ANTICANCER AGENTS, ANTIFUNGAL AGENTS ETC. BUCK INST FOR RES ON AGING (US) 2016-02-03 EP disclosed
EP-2471797-A2 17-Desmethylrapamycin and analogues thereof, methods for their production and their use as immunosupressants, anticancer agents, antifungal agents etc. Biotica Technology Limited (GB) 2012-07-04 EP disclosed
EP-2029611-A2 17-DESMETHYLRAPAMYCIN AND ANALOGUES THEREOF, METHODS FOR THEIR PRODUCTION AND THEIR USE AS IMMUNOSUPRESSANTS, ANTICANCER AGENTS, ANTIFUNGAL AGENTS ETC. Biotica Technology Limited (GB) 2009-03-04 EP disclosed
WO-2006016167-A2 17-DESMETHYLRAPAMYCIN AND ANALOGUES THEREOF, METHODS FOR THEIR RODUCTION AND THEIR USE AS IMMUNOSUPRESSANTS, ANTICANCER AGENTS, ANTIFUNGAL AGENTS, ETC. BIOTICA TECHNOLOGY LIMITED (GB) 2006-02-16 WO disclosed