SCHEMBL8949783

SCHEMBL8949783

C=CCc1cc(Oc2cccc(C(=O)OCC)c2)ccc1O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.47
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
F10 P00742 3/20 0.47
F2 P00734 1/20 0.47
CA12 O43570 1/20 0.47
CA1 P00915 1/20 0.47
CA2 P00918 1/20 0.47
CA7 P43166 1/20 0.47
CA9 Q16790 1/20 0.47
CA14 Q9ULX7 1/20 0.47
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
PTPN1 P18031 1/20 0.45
HSD17B2 P37059 1/20 0.43
TDP1 Q9NUW8 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
MAPK1 P28482 1/20 0.42
NPC1 O15118 3/20 0.41
RAB9A P51151 3/20 0.41

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
SCHEMBL9445337 0.85 AKR1C3 (0.56) KMT2AKDM4EPTPN1NPC1RAB9A
SCHEMBL8949857 0.84 CA12 (0.50) MAPTMEN1KMT2AF10F2
SCHEMBL1515872 0.84 CA12 (0.62) CA12CA1CA2CA7CA9
SCHEMBL9151126 0.80 CA12 (0.50) MAPTMEN1KMT2ACA12CA1
SCHEMBL1951863 0.78 GABRA1 (0.63) MAPTMEN1KMT2AKDM4EPTPN1
SCHEMBL23484454 0.77 MAPT (0.53) MAPTMEN1KMT2AF10F2
SCHEMBL8955466 0.77 MEN1 (0.57) MAPTMEN1KMT2AF10F2
SCHEMBL8737053 0.77 MEN1 (0.60) MAPTMEN1KMT2AF10F2
SCHEMBL9938318 0.77 MEN1 (0.70) MAPTMEN1KMT2AF10F2
SCHEMBL774628 0.77 GABRA1 (0.54) MAPTMEN1KMT2AKDM4ETDP1

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-5552441-A ANTIALLERGENS, ANTIINFLAMMATORY AGENTS AND RESPIRATORY SYSTEM DISORDERS ELI LILLY AND COMPANY (US) 1996-09-03 US disclosed
US-5324743-A Leukotriene B4 antagonists ELI LILLY AND COMPANY (US) 1994-06-28 US disclosed