SCHEMBL1573232

SCHEMBL1573232

COc1c(C)c(C(=O)c2ccc(N)c(C(=O)O)c2)n2cc(OCCN)ccc12

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 2/20 0.33
▸ KMT2A Q03164 1/20 0.33
▸ CNR1 P21554 1/20 0.32
▸ CNR2 P34972 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ HPGD P15428 1/20 0.31
▸ TSHR P16473 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ HSD17B10 Q99714 1/20 0.31
▸ CBX7 O95931 1/20 0.31
▸ PLA2G1B P04054 1/20 0.31
▸ PLA2G2A P14555 1/20 0.31
▸ MAPT P10636 2/20 0.31
▸ LMNA P02545 1/20 0.31
▸ L3MBTL1 Q9Y468 1/20 0.31
▸ PLA2G4A P47712 1/20 0.31
▸ TP53 P04637 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL1573088 0.93 RARB (0.34) ALDH1A1KMT2ACNR1CNR2KDM4E
SCHEMBL1573145 0.93 RARB (0.34) ALDH1A1KMT2ACNR1CNR2KDM4E
SCHEMBL4507759 0.92 KDM4E (0.36) ALDH1A1KMT2ACNR1CNR2KDM4E
SCHEMBL3947583 0.89 ALDH1A1 (0.36) ALDH1A1KMT2AKDM4EHPGDTSHR
SCHEMBL1572762 0.87 SRD5A2 (0.39) ALDH1A1KMT2AKDM4ERAB9ATP53
SCHEMBL4514569 0.84 MAPT (0.36) ALDH1A1KMT2ACNR1CNR2KDM4E
SCHEMBL4500669 0.84 LMNA (0.34) ALDH1A1KMT2ACNR1CNR2KDM4E
SCHEMBL1573306 0.83 POLB (0.36) ALDH1A1KMT2AKDM4EMAPTLMNA
SCHEMBL3943244 0.81 BRAF (0.37) ALDH1A1KDM4EMAPT
SCHEMBL4509609 0.80 LNPEP (0.42) ALDH1A1KDM4EHPGDTSHRHSD17B10

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2018165-B1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI AVENTIS (FR) 2011-04-13 — — EP disclosed
EP-2018165-A1 FGF-PECEPTOR AGONIST DIMERIC COMPOUNDS Sanofi-Aventis (FR) 2009-01-28 — — EP disclosed
WO-2007080325-A1 FGF-RECEPTOR AGONIST DIMERIC COMPOUNDS SANOFI-AVENTIS (FR) 2007-07-19 — — WO disclosed
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