SCHEMBL7753552

SCHEMBL7753552

C=C(C)C(=O)CCOc1ccccc1C(C)(C)c1ccccc1OCCC(=O)C(=C)C

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 5/20 0.45
ALDH1A1 P00352 5/20 0.45
GAA P10253 3/20 0.45
LMNA P02545 4/20 0.42
TDP1 Q9NUW8 2/20 0.41
MAPK1 P28482 1/20 0.41
HTT P42858 1/20 0.41
NPSR1 Q6W5P4 1/20 0.39
RXRA P19793 1/20 0.39
RXRB P28702 1/20 0.39
RXRG P48443 1/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
ATM Q13315 1/20 0.38
KMT2A Q03164 3/20 0.38
RAB9A P51151 1/20 0.38
MEN1 O00255 2/20 0.38
CYP1A2 P05177 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C19 P33261 1/20 0.38
HSD17B10 Q99714 1/20 0.38

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
SCHEMBL4120520 0.81 ALDH1A1 (0.44) KDM4EALDH1A1GAALMNATDP1
SCHEMBL11138026 0.80 TDP1 (0.49) KDM4EALDH1A1GAALMNATDP1
SCHEMBL3901706 0.79 ATM (0.36) KDM4EALDH1A1GAATDP1HTT
SCHEMBL6362758 0.77 LMNA (0.53) KDM4EALDH1A1GAALMNANPSR1
SCHEMBL27230002 0.76 ALDH1A1 (0.40) KDM4EALDH1A1GAALMNATDP1
SCHEMBL66178 0.74 TDP1 (0.55) KDM4EALDH1A1GAALMNATDP1
SCHEMBL29376230 0.74 TDP1 (0.55) KDM4EALDH1A1GAALMNATDP1
SCHEMBL2459247 0.74 NPSR1 (0.41) KDM4EALDH1A1GAALMNATDP1
SCHEMBL17065870 0.74 DRD2 (0.53) KDM4EALDH1A1LMNAMAPK1SMN1; SMN2
SCHEMBL29429255 0.74 ALDH1A1 (0.53) KDM4EALDH1A1GAALMNATDP1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2902007-B1 DENTAL FILLING REPAIRING MATERIAL TOKUYAMA DENTAL CORP (JP) 2019-01-09 EP disclosed
US-20150272833-A1 Dental Restorative Material TOKUYAMA DENTAL CORPORATION (JP) 2015-10-01 US disclosed
EP-2902007-A1 DENTAL FILLING REPAIRING MATERIAL Tokuyama Dental Corporation (JP) 2015-08-05 EP disclosed
WO-2001054746-A2 COMPOSITE BIOMATERIAL INCLUDING ANISOMETRIC CALCIUM PHOSPHATE REINFORCEMENT PARTICLES ADVANCED RESEARCH AND TECHNOLOGY INSTITUTE, INC. (US) 2001-08-02 WO disclosed