SCHEMBL9733975

SCHEMBL9733975

CC1(C)C=C(n2cccc(C(=O)O)c2=O)c2cc(C#N)ccc2C1

nearest known ligand 0.37

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KCNH2 Q12809 1/20 0.37
CXCR5 P32302 3/20 0.35
RARA P10276 1/20 0.34
RARB P10826 1/20 0.34
RARG P13631 1/20 0.34
KMT2A Q03164 1/20 0.33
ALB P02768 1/20 0.33
NOTUM Q6P988 1/20 0.33
RXRA P19793 2/20 0.33
GAA P10253 1/20 0.32
MAPT P10636 1/20 0.32
GFER P55789 1/20 0.32
XDH P47989 1/20 0.32
SLC22A12 Q96S37 1/20 0.32
PGR P06401 1/20 0.32
POLB P06746 1/20 0.32
HTT P42858 1/20 0.32
ALK Q9UM73 1/20 0.32
MALT1 Q9UDY8 1/20 0.31

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
SCHEMBL9733259 0.86 PGR (0.34) PGRPOLBMALT1
SCHEMBL9733300 0.85 MAOB (0.32) PGRALKMALT1
SCHEMBL9734356 0.84 POLB (0.34) KMT2APGRPOLBALK
SCHEMBL9733746 0.84 PGR (0.34) PGRPOLBMALT1
SCHEMBL9733001 0.83 OTUD7B (0.35) KMT2AGAAMAPTPGRPOLB
SCHEMBL9732964 0.82 DRD2 (0.35) MAPTPGRALK
SCHEMBL9733088 0.81 MAPT (0.36) KCNH2KMT2AMAPTPGRHTT
SCHEMBL9733284 0.81 HTR1A (0.37) KMT2APGRPOLB
SCHEMBL8077021 0.80 PDE4A (0.40) KCNH2ALBNOTUMXDHSLC22A12
SCHEMBL9733106 0.78 PGR (0.34) PGRPOLBALK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5132307-A TETRALIN COMPOUNDS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1992-07-21 US disclosed
EP-0368160-A1 Tetralin derivatives MERCK PATENT GmbH (DE) 1990-05-16 EP disclosed