SCHEMBL8229916

SCHEMBL8229916

C=CCCCCCCCCO.CCC=C(C)C(O)CCCCC

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.46
ALDH1A1 P00352 3/20 0.37
LMNA P02545 3/20 0.37
MEN1 O00255 2/20 0.37
KMT2A Q03164 2/20 0.37
HSD17B10 Q99714 1/20 0.37
GPR84 Q9NQS5 3/20 0.37
FFAR1 O14842 1/20 0.37
CYP3A4 P08684 2/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
USP2 O75604 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
PLA2G2C Q5R387 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
SCHEMBL1677747 1.00 TSHR (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL8229914 1.00 TSHR (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL1677744 1.00 TSHR (0.46) TSHRALDH1A1LMNAMEN1KMT2A
SCHEMBL7041325 0.89 USP2 (0.33) TSHRALDH1A1CYP3A4SMN1; SMN2USP2
SCHEMBL1677745 0.83 FFAR1 (0.34) ALDH1A1LMNAMEN1KMT2AFFAR1
SCHEMBL10906262 0.83 TSHR (0.38) TSHRALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL10906265 0.83 TSHR (0.38) TSHRALDH1A1LMNACYP3A4SMN1; SMN2
SCHEMBL10457058 0.83 GPR84 (0.50) LMNAGPR84FFAR1CYP3A4MAPT
SCHEMBL10907234 0.83 GPR84 (0.50) LMNAGPR84FFAR1CYP3A4MAPT
SCHEMBL10457057 0.83 GPR84 (0.50) LMNAGPR84FFAR1CYP3A4MAPT

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-0989970-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 2000-04-05 EP disclosed
WO-1998058899-A1 FRAGRANCE PRECURSOR COMPOUNDS GIVAUDAN-ROURE (INTERNATIONAL) S.A. (CH) 1998-12-30 WO disclosed