SCHEMBL9058294

SCHEMBL9058294

CCOc1cccc2c1OC(OC)=C(C(C)=O)C2

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.40
MAPT P10636 5/20 0.39
GAA P10253 2/20 0.39
ALOX12 P18054 1/20 0.39
KCNK3 O14649 1/20 0.38
KCNK9 Q9NPC2 1/20 0.38
KDM4E B2RXH2 1/20 0.38
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
SMN1; SMN2 Q16637 2/20 0.36
ALDH1A1 P00352 2/20 0.36
HTT P42858 1/20 0.36
LMNA P02545 2/20 0.35
L3MBTL1 Q9Y468 2/20 0.35
GLA P06280 1/20 0.35
CREBBP Q92793 1/20 0.35
MTNR1A P48039 1/20 0.35
ADORA3 P0DMS8 1/20 0.35

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
SCHEMBL9058022 0.88 KDM4E (0.42) KMT2AMAPTALOX12KDM4EMEN1
SCHEMBL9057174 0.73 L3MBTL1 (0.38) KMT2AMAPTGAAKDM4ENPC1
SCHEMBL9058487 0.73 MAOA (0.44) KMT2AMAPTGAAKDM4EMEN1
SCHEMBL13839624 0.69 MAPT (0.39) KMT2AMAPTKDM4EMEN1RAB9A
SCHEMBL5088087 0.65 CA9 (0.54) MAPTGAAALDH1A1LMNAL3MBTL1
SCHEMBL11347996 0.64 GRK6 (0.36) KMT2AMAPTKDM4EMEN1ALDH1A1
Acetic Acid SCHEMBL1176753 0.64 L3MBTL1 (0.43) KMT2AMAPTGAAMEN1NPC1
Acetic Acid SCHEMBL27342288 0.64 CA9 (0.55) KCNK3KCNK9SMN1; SMN2ALDH1A1LMNA
SCHEMBL9058219 0.63 CA12 (0.39) KMT2AMAPTGAAMEN1RAB9A
SCHEMBL6507725 0.63 CD69 (0.40) KMT2AMAPTGAAKDM4EMEN1

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
WO-1996020296-A1 USE OF CHROMIUM DERIVATIVES AS BRIGHTENERS BASF AKTIENGESELLSCHAFT (DE) 1996-07-04 WO disclosed