SCHEMBL8054787

SCHEMBL8054787

O=C(Cc1ccccc1)OC(OC(=O)Cc1ccccc1)c1ccccc1

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.65
ALDH1A1 P00352 1/20 0.53
MAPK1 P28482 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
PAM P19021 1/20 0.52
CRHBP P24387 1/20 0.51
CRHR2 Q13324 1/20 0.51
KLK7 P49862 4/20 0.49
CNR2 P34972 1/20 0.49
CES2 O00748 2/20 0.48
CES1 P23141 2/20 0.48
AKR1B1 P15121 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.46
CNR1 P21554 1/20 0.45
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42
HDAC8 Q9BY41 1/20 0.42
HDAC6 Q9UBN7 1/20 0.42

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
SCHEMBL4911331 0.85 CRHBP (0.69) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL3391481 0.81 TSHR (0.71) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL28850896 0.81 TSHR (0.61) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL13046507 0.81 TSHR (0.71) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL112612 0.81 TSHR (0.71) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL27805540 0.81 TSHR (0.61) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL8460316 0.81 TSHR (0.61) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL24991843 0.80 TSHR (0.59) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL12412853 0.79 TSHR (0.73) TSHRALDH1A1MAPK1L3MBTL1PAM
SCHEMBL10694408 0.79 TSHR (0.57) TSHRALDH1A1MAPK1L3MBTL1PAM

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5648196-A Water-soluble photoinitiators CORNELL RESEARCH FOUNDATION, INC. (US) 1997-07-15 US claimed
US-5532106-A MICROELECTRONICS WITH POLYMERS, PHOTOACTIVE AGENTS AND DISSOLUTION INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-07-02 US claimed
US-6013413-A Alicyclic nortricyclene polymers and co-polymers CORNELL RESEARCH FOUNDATION, INC. (US) 2000-01-11 US disclosed
US-5648196-A Water-soluble photoinitiators CORNELL RESEARCH FOUNDATION, INC. (US) 1997-07-15 US disclosed
US-5585223-A RADIATION ACTIVATION; HEATING; ETCHING CORNELL RESEARCH FOUNDATION, INC. (US) 1996-12-17 US disclosed
US-5532106-A MICROELECTRONICS WITH POLYMERS, PHOTOACTIVE AGENTS AND DISSOLUTION INHIBITORS CORNELL RESEARCH FOUNDATION, INC. (US) 1996-07-02 US disclosed