SCHEMBL21908191

SCHEMBL21908191

O=Cc1ccc(-c2ccc(-c3ccc(O)cc3)cc2)cc1

nearest known ligand 0.84

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH5A1 P51649 1/20 0.84
ABAT P80404 1/20 0.84
ESR1 P03372 2/20 0.58
ESR2 Q92731 1/20 0.58
KDM4E B2RXH2 3/20 0.50
ALDH1A1 P00352 2/20 0.50
MAPT P10636 1/20 0.50
HDAC3 O15379 1/20 0.50
HDAC4 P56524 1/20 0.50
HDAC1 Q13547 1/20 0.50
HDAC7 Q8WUI4 1/20 0.50
HDAC2 Q92769 1/20 0.50
HDAC10 Q969S8 1/20 0.50
HDAC11 Q96DB2 1/20 0.50
HDAC8 Q9BY41 1/20 0.50
HDAC6 Q9UBN7 1/20 0.50
HDAC9 Q9UKV0 1/20 0.50
HDAC5 Q9UQL6 1/20 0.50
MMP3 P08254 1/20 0.48
BCL2L1 Q07817 1/20 0.48

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
SCHEMBL4445918 1.00 ALDH5A1 (0.84) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL37193 0.92
4-Hydroxybenzaldehyde SCHEMBL19328157 0.92 ALDH5A1 (1.00) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL30290836 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL29153364 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL28981620 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL2187647 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL5161739 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL28498005 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E
4-Hydroxybenzaldehyde SCHEMBL29889847 0.89 ALDH5A1 (0.94) ALDH5A1ABATESR1ESR2KDM4E

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-10774212-B2 Thermally conductive material, resin composition, and device FUJIFILM CORPORATION (JP) 2020-09-15 US disclosed
US-10633252-B2 Surface-modified inorganic substance, method for manufacturing same, resin composition, thermally conductive material, and device FUJIFILM CORPORATION (JP) 2020-04-28 US disclosed