SCHEMBL9058216

SCHEMBL9058216

COc1cccc2c1OC=C(C(C)=O)C2

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
KDM4E B2RXH2 3/20 0.40
LMNA P02545 2/20 0.40
ALDH1A1 P00352 1/20 0.40
HSD17B10 Q99714 1/20 0.40
RECQL P46063 1/20 0.38
KMT2A Q03164 4/20 0.38
CA1 P00915 1/20 0.38
CA2 P00918 1/20 0.38
CA7 P43166 1/20 0.38
CA14 Q9ULX7 1/20 0.38
MTNR1A P48039 3/20 0.37
MTNR1B P49286 3/20 0.37
CTNNB1 P35222 1/20 0.36
WNT3A P56704 1/20 0.36
RAB9A P51151 3/20 0.35
NPC1 O15118 3/20 0.35
MAPT P10636 2/20 0.35
SMN1; SMN2 Q16637 2/20 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
SCHEMBL6105692 0.88 CA12 (0.45) CA12CA9KDM4ELMNAALDH1A1
SCHEMBL9058882 0.85 CA9 (0.39) CA12CA9KDM4EKMT2ACA1
SCHEMBL8628779 0.75 TLR2 (0.38) CA12CA9KDM4EALDH1A1CTNNB1
SCHEMBL9058022 0.72 KDM4E (0.42) CA12CA9KDM4ELMNAALDH1A1
SCHEMBL9058873 0.71 MAOA (0.41) CA12CA9KDM4EALDH1A1MTNR1A
SCHEMBL4140771 0.68 CA12 (0.54) CA12CA9KDM4EALDH1A1KMT2A
SCHEMBL9058392 0.68 MTNR1A (0.44) CA12CA9KDM4ELMNAALDH1A1
SCHEMBL9058215 0.68 KMT2A (0.70) CA12CA9KDM4ELMNAALDH1A1
SCHEMBL7363824 0.66 TERT (0.42) CA12CA9KDM4ELMNAALDH1A1
SCHEMBL14157835 0.65 ROCK2 (0.56) KDM4ELMNAALDH1A1HSD17B10KMT2A

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