SCHEMBL22280682

SCHEMBL22280682

Oc1ccc(-c2ccc(-c3ccccc3)cc2)c(O)c1

nearest known ligand 0.91

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALOX5 P09917 2/20 0.91
BCL2L1 Q07817 2/20 0.61
MMP3 P08254 1/20 0.61
ESR2 Q92731 6/20 0.61
BACE1 P56817 1/20 0.58
ESR1 P03372 4/20 0.57
ALDH1A1 P00352 1/20 0.56
HPGD P15428 1/20 0.56
HSD17B10 Q99714 1/20 0.56
HSP90AA1 P07900 1/20 0.56
HSD17B1 P14061 2/20 0.52
HSD17B2 P37059 2/20 0.52
KMT2A Q03164 2/20 0.51
GFER P55789 1/20 0.51
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
EGFR P00533 1/20 0.50
MEN1 O00255 1/20 0.50

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
SCHEMBL29629264 0.95 ALOX5 (1.00) ALOX5BCL2L1MMP3ESR2BACE1
SCHEMBL69153 0.95 ALOX5 (1.00) ALOX5BCL2L1MMP3ESR2BACE1
Methane SCHEMBL26968809 0.93 ALOX5 (0.95) ALOX5BCL2L1MMP3ESR2BACE1
Ethane SCHEMBL27724868 0.91 ALOX5 (0.91) ALOX5BCL2L1MMP3ESR2BACE1
SCHEMBL31601680 0.89 ALOX5 (0.72) ALOX5BCL2L1MMP3ESR2BACE1
Chloromethane SCHEMBL28112788 0.89 ALOX5 (0.87) ALOX5BCL2L1MMP3ESR2BACE1
Formaldehyde SCHEMBL27517414 0.89 ALOX5 (0.87) ALOX5BCL2L1MMP3ESR2BACE1
Bromomethane SCHEMBL28284579 0.89 ALOX5 (0.87) ALOX5BCL2L1MMP3ESR2BACE1
SCHEMBL3811869 0.88 ALOX5 (0.70) ALOX5BCL2L1MMP3ESR2ESR1
SCHEMBL5002666 0.87 ALOX5 (0.83) ALOX5BCL2L1MMP3ESR2BACE1

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-20200239781-A1 Solid Foam Comprising Mesogenic Ligand-Functionalized Nanoparticles and Methods of Making and Using the Same THE REGENTS OF THE UNIVERSITY OF CALIFORNIA 2020-07-30 US disclosed