SCHEMBL16707296

SCHEMBL16707296

COc1ccc(C(OCC2O[C@@H](n3cnc4c(=O)[nH]c(NC(=O)C(C)C)nc43)[C@H](OCc3ccccc3)[C@@H]2OP(OCCC#N)N(C(C)C)C(C)C)(c2ccccc2)c2ccc(OC)cc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
TYMP P19971 12/20 0.43
KDM4E B2RXH2 1/20 0.39
TAS1R3 Q7RTX0 2/20 0.34
TAS1R1 Q7RTX1 2/20 0.34
NT5E P21589 1/20 0.34
HINT1 P49773 1/20 0.33
HPGD P15428 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL12803763 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL12964677 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL12803769 1.00 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL17861001 0.95 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL30866953 0.95 TYMP (0.44) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL23138150 0.94 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL668619 0.94 TYMP (0.45) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL7066599 0.94 TYMP (0.43) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL31329389 0.93 KDM4E (0.46) TYMPKDM4ETAS1R3TAS1R1NT5E
SCHEMBL25233120 0.93 TYMP (0.42) TYMPKDM4ETAS1R3TAS1R1NT5E

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
US-9512426-B2 Method for rapidly evaluating performance of short interfering RNA with novel chemical modifications SIRNA THERAPEUTICS, INC. (US) 2016-12-06 US disclosed
US-20150132761-A1 METHOD FOR RAPIDLY EVALUATING PERFORMANCE OF SHORT INTERFERING RNA WITH NOVEL CHEMICAL MODIFICATIONS BANK OF AMERICA, N.A. 2015-05-14 US disclosed