SCHEMBL4259499

SCHEMBL4259499

CC(C)=CCCC(C)=CCC1(c2ccccc2)CC(=O)c2ccccc2O1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 2/20 0.41
PGR P06401 1/20 0.41
HTR1A P08908 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
PTGS1 P23219 1/20 0.41
PDE4A P27815 1/20 0.41
MAPK1 P28482 1/20 0.41
DRD3 P35462 1/20 0.41
SNCA P37840 1/20 0.41
PDE3A Q14432 1/20 0.41
ALOX15 P16050 3/20 0.40
LMNA P02545 2/20 0.40
CYP1A2 P05177 2/20 0.40
CYP3A4 P08684 2/20 0.40
CYP2C9 P11712 2/20 0.40
HIF1A Q16665 2/20 0.40
PTGS2 P35354 1/20 0.40
ALDH1A1 P00352 1/20 0.40
ALOX12 P18054 1/20 0.40
CYP2C19 P33261 1/20 0.40

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
SCHEMBL4259494 1.00 MAPT (0.41) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL2582093 0.83 PTGS2 (0.40) MAPTPGRHTR1AADORA3PTGS1
SCHEMBL28881800 0.75 SIGMAR1 (0.39) ALOX15CYP3A4ALDH1A1CYP2C19SIGMAR1
SCHEMBL19358635 0.74 BACE1 (0.36) MAPTCYP1A2CYP2C9HIF1ACYP2C19
SCHEMBL6561518 0.74 SIGMAR1 (0.45) MAPTADORA3CYP2C9SMN1; SMN2SIGMAR1
SCHEMBL29258996 0.74 SIGMAR1 (0.45) MAPTADORA3CYP2C9SMN1; SMN2SIGMAR1
SCHEMBL27281924 0.74 SIGMAR1 (0.45) LMNACYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL20138521 0.73 CYP19A1 (0.41) MAPTCYP3A4ALDH1A1SMN1; SMN2HSP90AA1
SCHEMBL27794644 0.72 SIGMAR1 (0.45) ADORA3CYP2C9ALDH1A1SIGMAR1HSD17B10
SCHEMBL15570077 0.71 MAPT (0.47) MAPTPGRHTR1AADORA3PTGS1

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
CN-107746399-A The synthetic method of the geranyl flavanones of one oxygen substitution 宁夏大学 2018-03-02 CN disclosed
WO-2009014315-A1 A COMPOSITION THAT IS COMPRISING EXTRACTS, FRACTIONS OR ISOLATED SINGLE COMPOUNDS OF ROBINIA PSEUDO-ACACIA VAR. UMBRACULIFERA KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2009-01-29 WO disclosed