SCHEMBL8535690

SCHEMBL8535690

CCCCSCSCCCC

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CES1 P23141 5/20 0.41
TSHR P16473 4/20 0.40
LMNA P02545 1/20 0.40
ATM Q13315 1/20 0.39
CES2 O00748 3/20 0.39
THRB P10828 2/20 0.39
GMNN O75496 1/20 0.39
TP53 P04637 1/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
CYP2C9 P11712 1/20 0.39
BLM P54132 1/20 0.39
HSD17B10 Q99714 1/20 0.39
NOS3 P29474 1/20 0.38
NOS1 P29475 1/20 0.38
NOS2 P35228 1/20 0.38
CA2 P00918 1/20 0.37
FAAH O00519 4/20 0.33
PLA2G6 O60733 1/20 0.33
ALDH1A1 P00352 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
SCHEMBL14822452 0.91
SCHEMBL8542087 0.90 CES2 (0.48) CES1TSHRLMNACES2THRB
SCHEMBL11705701 0.87 CES2 (0.52) CES1TSHRLMNACES2THRB
SCHEMBL26650650 0.87 CES2 (0.52) CES1TSHRLMNACES2THRB
SCHEMBL11702016 0.87 CES2 (0.52) CES1TSHRLMNACES2THRB
SCHEMBL11616122 0.87 CES2 (0.52) CES1TSHRLMNACES2THRB
SCHEMBL21882 0.85
SCHEMBL25284001 0.84 CES2 (0.50) CES1TSHRLMNACES2THRB
Iodide SCHEMBL7869089 0.81 TSHR (0.43) CES1TSHRLMNAATMCES2
SCHEMBL747847 0.81 TSHR (0.43) CES1TSHRLMNAATMCES2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113444340-B Resin composition 味之素株式会社 2025-06-10 CN disclosed
EP-0884311-A2 Triazole Derivatives and their production Takeda Chemical Industries, Ltd. (JP) 1998-12-16 EP disclosed
US-5554582-A Cyclohexenone compounds, their preparation and their use for controlling undesirable plant growth BASF AKTIENGESELLSCHAFT (DE) 1996-09-10 US disclosed
EP-0319835-B1 CYCLOHEXENONE COMPOUNDS, PROCESS FOR THEIR PREPARATION AND THEIR USE AGAINST THE GROWTH OF UNDESIRED PLANTS BASF Aktiengesellschaft (DE) 1993-03-10 EP disclosed
EP-0319835-A2 Cyclohexenone compounds, process for their preparation and their use against the growth of undesired plants BASF Aktiengesellschaft (DE) 1989-06-14 EP disclosed