SCHEMBL7758731

SCHEMBL7758731

C=C(C)C(=O)OCCCC.C=CC(=O)OC(C)CCS(=O)(=O)O

nearest known ligand 0.46

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
TSHR P16473 7/20 0.46
HPGD P15428 1/20 0.44
THRB P10828 1/20 0.35
ATM Q13315 1/20 0.34
POLB P06746 1/20 0.33
APEX1 P27695 1/20 0.33
HTT P42858 1/20 0.33
TDP1 Q9NUW8 1/20 0.33
FAAH O00519 1/20 0.33
ALDH1A1 P00352 2/20 0.33
CYP3A4 P08684 1/20 0.32
HCAR2 Q8TDS4 1/20 0.31

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
SCHEMBL10336715 0.89 TSHR (0.58) TSHRHPGDTHRBATMFAAH
SCHEMBL28059526 0.83 TSHR (0.61) TSHRHPGDTHRBPOLBAPEX1
Methacrylic Acid SCHEMBL9300214 0.81 TSHR (0.34) TSHR
SCHEMBL11391417 0.81 TSHR (0.57) TSHRHPGDTHRBATMPOLB
SCHEMBL3391695 0.81 TSHR (0.40) TSHRHPGDALDH1A1CYP3A4
SCHEMBL27495016 0.80 TSHR (0.55) TSHRHPGDTHRBATMPOLB
SCHEMBL27847758 0.79 TSHR (0.44) TSHRHPGDTHRBPOLBAPEX1
SCHEMBL9313881 0.79 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4
SCHEMBL28190569 0.79 TSHR (0.39) TSHRHPGDALDH1A1CYP3A4
Methacrylic Acid SCHEMBL9818355 0.79 TSHR (0.33) TSHR

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-0280238-B2 Silver halide color photographic photosensitive materials FUJI PHOTO FILM CO LTD (JP) 2001-05-30 EP disclosed
EP-0280238-B1 SILVER HALIDE COLOR PHOTOGRAPHIC PHOTOSENSITIVE MATERIALS Fuji Photo Film Co., Ltd. (JP) 1993-08-04 EP disclosed
US-4857449-A Silver halide color photographic photosensitive materials FUJI PHOTO FILM CO., LTD. (JP) 1989-08-15 US disclosed
EP-0280238-A2 Silver halide color photographic photosensitive materials Fuji Photo Film Co., Ltd. (JP) 1988-08-31 EP disclosed