SCHEMBL15088099

SCHEMBL15088099

O=Cc1ncccc1OCc1ccc(C(=O)Oc2ccc(OCc3ccc(C(=O)O)cc3)c(C=O)n2)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 7/20 0.44
RXRB P28702 6/20 0.44
RXRG P48443 5/20 0.44
HPGD P15428 2/20 0.44
HDAC6 Q9UBN7 2/20 0.44
LMNA P02545 1/20 0.44
METAP2 P50579 1/20 0.44
METAP1 P53582 1/20 0.44
PPIA P62937 1/20 0.43
ALDH1A1 P00352 3/20 0.43
MAPT P10636 3/20 0.43
KDM4E B2RXH2 2/20 0.43
KMT2A Q03164 2/20 0.43
PSMD14 O00487 1/20 0.43
CRHBP P24387 1/20 0.43
PPARG P37231 1/20 0.43
CRHR2 Q13324 1/20 0.43
CTDSP1 Q9GZU7 1/20 0.43
FOLH1 Q04609 2/20 0.42
POLB P06746 1/20 0.41

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
SCHEMBL30078086 0.86 RXRA (0.57) RXRARXRBRXRGHPGDHDAC6
SCHEMBL15065675 0.86 RXRA (0.57) RXRARXRBRXRGHPGDHDAC6
SCHEMBL15065516 0.79 KMT2A (0.63) RXRAHDAC6LMNAPPIAALDH1A1
SCHEMBL30078173 0.79 KMT2A (0.63) RXRAHDAC6LMNAPPIAALDH1A1
SCHEMBL30078118 0.76 RXRA (0.53) RXRARXRBRXRGHPGDMAPT
SCHEMBL15066327 0.76 RXRA (0.53) RXRARXRBRXRGHPGDMAPT
SCHEMBL1178876 0.75 LTA4H (0.58) PPIAALDH1A1MAPTKMT2AFOLH1
SCHEMBL29953305 0.74 KMT2A (0.66) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL6341223 0.74 KMT2A (0.66) RXRARXRBRXRGHPGDALDH1A1
SCHEMBL30078103 0.73 MRGPRX4 (0.60) RXRARXRBHPGDPPIAKMT2A

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-2013102145-A1 SUBSTITUTED HETEROARYL ALDEHYDE COMPOUNDS AND METHODS FOR THEIR USE IN INCREASING TISSUE OXYGENATION GLOBAL BLOOD THERAPEUTICS, INC. (US) 2013-07-04 WO disclosed