SCHEMBL3831366

SCHEMBL3831366

C=CC(=O)OCC(Cl)CCCC

nearest known ligand 0.66

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TSHR P16473 9/20 0.66
HPGD P15428 1/20 0.55
ALDH1A1 P00352 5/20 0.41
CYP3A4 P08684 4/20 0.41
TP53 P04637 3/20 0.38
HIF1A Q16665 3/20 0.38
MAPK1 P28482 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
HSD17B10 Q99714 1/20 0.37
CA2 P00918 2/20 0.37
CA1 P00915 1/20 0.37
ATM Q13315 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
THRB P10828 3/20 0.36
MAPT P10636 1/20 0.34
THRA P10827 1/20 0.33
LMNA P02545 1/20 0.33

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
SCHEMBL8162799 0.93 TSHR (0.58) TSHRHPGDALDH1A1CYP3A4THRB
SCHEMBL28005755 0.83 TSHR (0.47) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1480795 0.82 TSHR (0.87) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL19456761 0.82 TSHR (0.87) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL1170750 0.82 TSHR (0.59) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL990755 0.81 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL753507 0.81 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL27821517 0.81 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL28789728 0.81 TSHR (0.68) TSHRHPGDALDH1A1CYP3A4TP53
SCHEMBL7620022 0.79 TSHR (0.81) TSHRHPGDALDH1A1CYP3A4TP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110620185-A Organic light emitting device 三星显示有限公司 2019-12-27 CN disclosed
EP-1243967-B1 Photothermographic material, its processing method, and mask material KONICA CORP (JP) 2009-09-16 EP disclosed
US-20030054261-A1 Photothermographic material, its processing method, and mask material KONICA CORPORATION (JP) 2003-03-20 US disclosed
EP-1243967-A2 Photothermographic material, its processing method, and mask material KONICA CORPORATION (JP) 2002-09-25 EP disclosed
EP-0663610-B1 Silver halide light-sensitive photographic material KONISHIROKU PHOTO IND (JP) 1999-06-16 EP disclosed
EP-0921432-A1 Silver halide light-sensitive photographic comprising a phosphazene compound KONICA CORPORATION (JP) 1999-06-09 EP disclosed
US-5476747-A High contrast images KONICA CORPORATION (JP) 1995-12-19 US disclosed
EP-0663610-A2 Silver halide light-sensitive photographic material KONICA CORPORATION (JP) 1995-07-19 EP disclosed