SCHEMBL21065504

SCHEMBL21065504

COc1ccc(C(OC[C@H]2[CH]C[C@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)O2)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.51

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMP P19971 10/20 0.47
KDM4E B2RXH2 1/20 0.47
TAS1R3 Q7RTX0 1/20 0.37
TAS1R1 Q7RTX1 1/20 0.37
HPGD P15428 1/20 0.35
PDE9A O76083 1/20 0.34
TAAR1 Q96RJ0 1/20 0.34
NPC1 O15118 1/20 0.34
LMNA P02545 1/20 0.34
MAPT P10636 1/20 0.34
RAB9A P51151 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
POLA1 P09884 1/20 0.34
ALDH1A1 P00352 1/20 0.33
NT5E P21589 1/20 0.33

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
SCHEMBL13493900 0.88 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL21473339 0.88 TYMP (0.48) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL18490457 0.88 TYMP (0.47) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL18490587 0.88 TYMP (0.47) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL3820892 0.87 KDM4E (0.56) TYMPKDM4ETAS1R3TAS1R1HPGD
SCHEMBL12714672 0.87 TYMP (0.59) TYMPKDM4ETAS1R3TAS1R1POLA1
SCHEMBL21828784 0.87 TYMP (0.59) TYMPKDM4ETAS1R3TAS1R1POLA1
SCHEMBL31556051 0.87 TYMP (0.59) TYMPKDM4ETAS1R3TAS1R1POLA1
SCHEMBL2281663 0.87 TYMP (0.59) TYMPKDM4ETAS1R3TAS1R1POLA1
SCHEMBL3821714 0.87 TYMP (0.59) TYMPKDM4ETAS1R3TAS1R1POLA1

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
EP-3505178-A1 BIOINK GEL FORMULATIONS COMPRISING NUCLEOLIPID-BASED COMPOUND UNIVERSITE DE BORDEAUX (FR) 2019-07-03 EP disclosed
EP-3502684-A1 METHOD FOR METAL ION DETECTION IN AQUEOUS SOLUTIONS USING NUCLEOLIPID COMPOUNDS UNIVERSITE DE BORDEAUX (FR) 2019-06-26 EP disclosed