SCHEMBL3960997

SCHEMBL3960997

C=C(C)OC(=O)c1ccc(OC(=C)C)c(OC(=C)C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 4/20 0.50
GAA P10253 3/20 0.50
RAB9A P51151 2/20 0.50
KDM4E B2RXH2 2/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 5/20 0.46
KMT2A Q03164 4/20 0.42
TOP1 P11387 2/20 0.42
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
NPC1 O15118 1/20 0.38
PKM P14618 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HCRTR1 O43613 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
CA12 O43570 1/20 0.37
CA1 P00915 1/20 0.37
CA2 P00918 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
SCHEMBL3963438 0.87 CA12 (0.42) TSHRGAARAB9AKDM4EALDH1A1
SCHEMBL3960362 0.82 SMN1; SMN2 (0.52) RAB9AKDM4EMAPTKMT2ACYP2C9
SCHEMBL5450979 0.79 TDP1 (0.48) TSHRRAB9AALDH1A1MAPTKMT2A
SCHEMBL10791915 0.77 KDM4E (0.41) TSHRGAAKDM4EALDH1A1MAPT
SCHEMBL9008922 0.76 TDP1 (0.41) TSHRRAB9AALDH1A1MAPTKMT2A
SCHEMBL3965774 0.75 CA12 (0.61) GAAKDM4EALDH1A1MAPTKMT2A
SCHEMBL26622369 0.74 MAPT (0.56) TSHRGAARAB9AKDM4EALDH1A1
SCHEMBL8957224 0.74 SMN1; SMN2 (0.46) RAB9AKDM4EMAPTNPC1SMN1; SMN2
SCHEMBL15339095 0.72 ELANE (0.49) TSHRGAARAB9AKDM4EALDH1A1
SCHEMBL15338838 0.72 KMT2A (0.49) TSHRGAARAB9AKDM4EALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7589170-B1 Synthesis of cyclic peptides THE UNIVERSITY OF QUEENSLAND (AU) 2009-09-15 US disclosed