SCHEMBL8337165

SCHEMBL8337165

C=C(C)C(=O)Oc1cc[c]c(OCC)c1OCC

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.36
THRB P10828 1/20 0.35
ELANE P08246 1/20 0.33
HTT P42858 2/20 0.33
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
LMNA P02545 1/20 0.32
KDM4E B2RXH2 2/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
ALDH1A1 P00352 1/20 0.32
HPGD P15428 1/20 0.32
HSD17B10 Q99714 1/20 0.32
KMT2A Q03164 1/20 0.31
ATM Q13315 1/20 0.31
PARP10 Q53GL7 1/20 0.31
CYP3A4 P08684 1/20 0.31
BPTF Q12830 1/20 0.31
CREBBP Q92793 1/20 0.31
GLA P06280 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
SCHEMBL9672147 0.87 PTPN1 (0.39) TSHRHTTTDP1LMNAKDM4E
SCHEMBL9862075 0.82 THRB (0.39) TSHRTHRBHTTPOLBLMNA
SCHEMBL9674008 0.81 TYMS (0.38) TSHRHTTPOLBLMNAKDM4E
SCHEMBL9321984 0.79 ALDH1A1 (0.37) TSHRHTTPOLBLMNAKDM4E
SCHEMBL3157120 0.79 L3MBTL1 (0.42) TSHRTHRBELANELMNAL3MBTL1
SCHEMBL10385058 0.79 KDM4E (0.44) TSHRTHRBELANETDP1KDM4E
SCHEMBL285513 0.78 TSHR (0.38) TSHRHTTPOLBLMNAKDM4E
SCHEMBL9672140 0.78 TSHR (0.41) TSHRHTTLMNAKDM4EL3MBTL1
SCHEMBL9183227 0.76 L3MBTL1 (0.44) TSHRELANELMNAKDM4EL3MBTL1
SCHEMBL2153635 0.75 PTPN1 (0.40) TSHRTHRBELANETDP1KDM4E

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
US-5959002-A PROVIDES ONE-PACK TYPE ANCHOR BOLT-FIXING; STORAGE STABILITY ASAHI KASEI KOGYO KABUSHIKI KAISHA (JP) 1999-09-28 US disclosed
US-5908876-A Optical resin composition comprising a thiourethane prepolymer and use thereof MITSUI CHEMICALS, INC. (JP) 1999-06-01 US disclosed
EP-0472106-B1 Pulverulent ink and printing methods KAO CORP (JP) 1994-02-16 EP disclosed
EP-0472106-A2 Pulverulent ink and printing methods KAO CORPORATION (JP) 1992-02-26 EP disclosed