SCHEMBL28998239

SCHEMBL28998239

C=C(C)C(=O)OC(CCCCCCC(C)C)C(C)=O

nearest known ligand 0.43

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
FAAH O00519 1/20 0.34
ALDH1A1 P00352 1/20 0.33
TRPV1 Q8NER1 1/20 0.33
KDM4C Q9H3R0 2/20 0.32
KDM4A O75164 1/20 0.32
PHF8 Q9UPP1 1/20 0.32
KDM2A Q9Y2K7 1/20 0.32
BLM P54132 1/20 0.31
LMNA P02545 1/20 0.30
THRB P10828 1/20 0.30

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
SCHEMBL28809788 0.86 TSHR (0.51) TSHRFAAHLMNA
SCHEMBL7520388 0.86 TSHR (0.51) TSHRFAAHLMNA
SCHEMBL28998261 0.86 TSHR (0.51) TSHRFAAHLMNA
SCHEMBL28998252 0.86 TSHR (0.51) TSHRFAAHLMNA
SCHEMBL27790880 0.82 TSHR (0.46) TSHRFAAHALDH1A1TRPV1KDM4C
SCHEMBL30477392 0.82 TSHR (0.46) TSHRFAAHALDH1A1TRPV1KDM4C
SCHEMBL27903644 0.81 TSHR (0.44) TSHRFAAHALDH1A1TRPV1KDM4C
SCHEMBL13729033 0.77 ACE2 (0.41) TSHRALDH1A1TRPV1BLM
SCHEMBL316408 0.77 TSHR (0.49) TSHRFAAHLMNA
SCHEMBL23494027 0.77 TSHR (0.47) TSHRFAAHALDH1A1BLMLMNA

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
CN-115943042-A Three-dimensional printing 惠普发展公司,有限责任合伙企业 2023-04-07 CN disclosed