SCHEMBL19768685

SCHEMBL19768685

CC[C@H]1O[C@@H](n2cc(C(=O)NCc3ccc4ccccc4c3)c(=O)[nH]c2=O)[C@@H](C)C1C

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ P2RY2 P41231 2/20 0.42
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ NR1H4 Q96RI1 2/20 0.36
▸ PTGDR2 Q9Y5Y4 1/20 0.35
▸ DAO P14920 1/20 0.34
▸ HDAC3 O15379 2/20 0.34
▸ HDAC1 Q13547 2/20 0.34
▸ HDAC2 Q92769 2/20 0.34
▸ HDAC4 P56524 1/20 0.34
▸ HDAC7 Q8WUI4 1/20 0.34
▸ HDAC10 Q969S8 1/20 0.34
▸ HDAC11 Q96DB2 1/20 0.34
▸ HDAC8 Q9BY41 1/20 0.34
▸ HDAC6 Q9UBN7 1/20 0.34
▸ HDAC9 Q9UKV0 1/20 0.34
▸ HDAC5 Q9UQL6 1/20 0.34

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
SCHEMBL25697669 1.00 P2RY2 (0.42) P2RY2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL19768689 0.91 P2RY2 (0.40) P2RY2
SCHEMBL25697678 0.91 P2RY2 (0.40) P2RY2
SCHEMBL25697668 0.86 F12 (0.41) DAO
SCHEMBL19768686 0.86 F12 (0.41) DAO
SCHEMBL19834971 0.81 TK2 (0.48) P2RY2
SCHEMBL19834969 0.79 TK2 (0.45) P2RY2
SCHEMBL25824045 0.78 P2RY2 (0.48) P2RY2KDM4EALDH1A1HPGDHSD17B10
SCHEMBL28803593 0.77 TK1 (0.52) —
SCHEMBL19768688 0.76 MEN1 (0.48) —

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
US-20180016581-A1 NUCLEIC ACID COMPOUNDS FOR BINDING GROWTH DIFFERENTIATION FACTOR 8 SOMALOGIC, INC. (US) 2018-01-18 — — US disclosed
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