SCHEMBL7753556

SCHEMBL7753556

C=C(C)C(=O)C(C)Oc1ccccc1C(C)(C)c1ccccc1OC(C)C(=O)C(=C)C

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.41
ATM Q13315 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ALDH1A1 P00352 4/20 0.36
GAA P10253 1/20 0.36
NPSR1 Q6W5P4 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.34
LMNA P02545 2/20 0.34
PPARG P37231 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
HPGD P15428 4/20 0.33
MEN1 O00255 1/20 0.33
MTNR1A P48039 1/20 0.33
MTNR1B P49286 1/20 0.33
ACHE P22303 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.32
TSHR P16473 1/20 0.32

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
SCHEMBL4649149 0.79 ATM (0.40) KMT2AATMTDP1ALDH1A1GAA
SCHEMBL66178 0.76 TDP1 (0.55) KMT2AATMTDP1ALDH1A1GAA
SCHEMBL29376230 0.76 TDP1 (0.55) KMT2AATMTDP1ALDH1A1GAA
SCHEMBL3901706 0.74 ATM (0.36) ATMTDP1ALDH1A1GAANPSR1
Ethylene SCHEMBL11046108 0.74 TDP1 (0.54) KMT2AATMTDP1ALDH1A1GAA
SCHEMBL17065868 0.74 ELANE (0.48) KMT2ATDP1ALDH1A1GAAIRAK4
SCHEMBL869591 0.73 MAPT (0.36) KMT2AATMTDP1ALDH1A1GAA
SCHEMBL2021137 0.72 TAS1R3 (0.42) KMT2ATDP1ALDH1A1GAAHPGD
SCHEMBL5097398 0.72 ATM (0.33) ATMTDP1PPARG
SCHEMBL4458912 0.72 TDP1 (0.36) ATMTDP1ALDH1A1GAANPSR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10828240-B2 Light curable composition TOKUYAMA DENTAL CORPORATION (JP) 2020-11-10 US disclosed
EP-3508190-A1 PHOTOCURABLE COMPOSITION Tokuyama Dental Corporation (JP) 2019-07-10 EP disclosed
US-20190192386-A1 LIGHT CURABLE COMPOSITION TOKUYAMA DENTAL CORPORATION (JP) 2019-06-27 US disclosed
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