SCHEMBL7926532

SCHEMBL7926532

COC(=O)c1ccc(-c2ccc3ccccc3c2OCCCCCC(O)C(C)C23CC4CC(CC(C4)C2)C3)cc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HDAC3 O15379 2/20 0.39
HDAC4 P56524 2/20 0.39
HDAC1 Q13547 2/20 0.39
HDAC7 Q8WUI4 2/20 0.39
HDAC2 Q92769 2/20 0.39
HDAC10 Q969S8 2/20 0.39
HDAC11 Q96DB2 2/20 0.39
HDAC8 Q9BY41 2/20 0.39
HDAC6 Q9UBN7 2/20 0.39
HDAC9 Q9UKV0 2/20 0.39
HDAC5 Q9UQL6 2/20 0.39
PDE7A Q13946 1/20 0.36
PDE7B Q9NP56 1/20 0.36
GPR84 Q9NQS5 1/20 0.35
P2RX7 Q99572 1/20 0.35
ALDH1A1 P00352 2/20 0.35
KDM4E B2RXH2 1/20 0.35
NPC1 O15118 1/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 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
SCHEMBL7927269 0.86 HDAC3 (0.40) HDAC3HDAC4HDAC1HDAC7HDAC2
SCHEMBL7927274 0.79 HIF1A (0.40) P2RX7ALDH1A1TDP1LMNAMTNR1A
SCHEMBL7926544 0.76 HIF1A (0.39) ALDH1A1TDP1LMNARARARARB
SCHEMBL7930122 0.74 HIF1A (0.43) P2RX7ALDH1A1TDP1LMNAMTNR1A
SCHEMBL7927824 0.74 HIF1A (0.43) P2RX7ALDH1A1TDP1LMNAEGFR
SCHEMBL7927690 0.71 RARB (0.43) ALDH1A1KDM4ETP53MAPTHPGD
SCHEMBL7927712 0.70 MEN1 (0.43) ALDH1A1KDM4ETP53MAPTHPGD
SCHEMBL8459926 0.67 SLC6A3 (0.43) TDP1LMNACNR2FAAHCNR1
SCHEMBL7929851 0.66 RARB (0.45) ALDH1A1KDM4ETP53MAPTHPGD
SCHEMBL8460456 0.66 SLC6A3 (0.41) TDP1LMNACNR2FAAHCNR1

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-6225328-B1 FOR THERAPY OF DISORDERS OR AILMENTS RELATED TO AN OVERREGULATION OF RETINOIC ACID RECEPTORS AND/OR TO HYPERVIAMINOSIS A CENTRE INTERNATIONAL DE RECHERCHES DERMATOLOGIQUES (FR) 2001-05-01 US disclosed