SCHEMBL8628779

SCHEMBL8628779

COc1cccc2c1OC=C(C=O)C2

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TLR2 O60603 1/20 0.38
ERN1 O75460 1/20 0.38
TLR1 Q15399 1/20 0.38
TLR6 Q9Y2C9 1/20 0.38
CHRM2 P08172 4/20 0.36
CHRM1 P11229 4/20 0.36
CHRM3 P20309 4/20 0.36
ALDH1A1 P00352 2/20 0.34
KDM4E B2RXH2 1/20 0.34
GAA P10253 1/20 0.34
MAPT P10636 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
NPC1 O15118 1/20 0.34
POLB P06746 1/20 0.34
RAB9A P51151 1/20 0.34
CTNNB1 P35222 1/20 0.34
WNT3A P56704 1/20 0.34
CA12 O43570 1/20 0.34
CA9 Q16790 1/20 0.34
DRD2 P14416 1/20 0.33

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
SCHEMBL9058216 0.75 CA12 (0.41) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL6105692 0.75 CA12 (0.45) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL9058882 0.71 CA9 (0.39) KDM4EMAPTNPC1RAB9ACTNNB1
SCHEMBL4140771 0.69 CA12 (0.54) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL7363824 0.67 TERT (0.42) ALDH1A1KDM4EGAAMAPTL3MBTL1
SCHEMBL31546944 0.67 KMT2A (0.53) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL8628781 0.67 KMT2A (0.53) TLR2ERN1TLR1TLR6ALDH1A1
SCHEMBL5758407 0.65 MAOB (0.53) ALDH1A1KDM4EMAPTNPC1RAB9A
SCHEMBL9378692 0.64 CA12 (0.38) ALDH1A1KDM4EMAPTCA12CA9
SCHEMBL13839625 0.63 ERN1 (0.41) TLR2ERN1TLR1TLR6ALDH1A1

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-5717106-A THERMAL DYE TRANSFER IMAGING EASTMAN KODAK COMPANY (US) 1998-02-10 US disclosed
US-5712223-A YELLOW DYES WITH IMPROVED EFFICIENCY EASTMAN KODAK COMPANY (US) 1998-01-27 US disclosed