SCHEMBL9801846

SCHEMBL9801846

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

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TYMP P19971 2/20 0.41
POLA1 P09884 1/20 0.41
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 1/20 0.38
TAS1R1 Q7RTX1 1/20 0.38
TAAR1 Q96RJ0 2/20 0.38
HPGD P15428 1/20 0.35
POLB P06746 1/20 0.35
IMPDH2 P12268 2/20 0.34
IMPDH1 P20839 1/20 0.34
P2RY2 P41231 1/20 0.33
P2RY4 P51582 1/20 0.33
P2RY6 Q15077 1/20 0.33
HINT1 P49773 1/20 0.33
NR2F2 P24468 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
SCHEMBL2113125 0.89 KDM4E (0.49) TYMPPOLA1KDM4ETAS1R3TAS1R1
SCHEMBL7534659 0.89 KDM4E (0.49) TYMPPOLA1KDM4ETAS1R3TAS1R1
SCHEMBL9790905 0.87 ALDH1A1 (0.44) TYMPPOLA1KDM4ETAS1R3TAS1R1
SCHEMBL8574965 0.86 HPGD (0.46) TYMPTAAR1HPGDPOLBP2RY2
SCHEMBL2113415 0.86 TAS1R3 (0.40) TYMPPOLA1KDM4ETAS1R3TAS1R1
SCHEMBL22983970 0.85 TYMP (0.60) TYMPPOLA1KDM4ETAS1R3TAS1R1
SCHEMBL8326666 0.85 TYMP (0.60) TYMPPOLA1KDM4ETAS1R3TAS1R1
SCHEMBL9548725 0.82 TYMP (0.58) TYMP
SCHEMBL2270354 0.80 POLB (0.38) TYMPPOLBP2RY2P2RY4P2RY6
SCHEMBL4553693 0.80 KDM4E (0.51) TYMPPOLA1KDM4ETAS1R3TAS1R1

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-0115613-B1 DNA SEQUENCES, THEIR PREPARATION, PLASMIDS CONTAINING THESE SEQUENCES AND THEIR USE IN THE SYNTHESIS OF EUKARYOTIC GENE PRODUCTS IN PROKARYOTES BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1991-03-27 EP disclosed
EP-0115613-A2 DNA sequences, their preparation, plasmids containing these sequences and their use in the synthesis of eukaryotic gene products in prokaryotes BOEHRINGER INGELHEIM INTERNATIONAL GmbH (DE) 1984-08-15 EP disclosed