SCHEMBL3655591

SCHEMBL3655591

C=CCOS(=O)(=O)C(CCCCCCCC)(CC(=O)O)C(=O)O.CCN(CC)CC.CCN(CC)CC

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.35
BLM P54132 2/20 0.31
GMNN O75496 1/20 0.31
USP2 O75604 1/20 0.31
CYP1A2 P05177 1/20 0.31
POLB P06746 1/20 0.31
CYP3A4 P08684 1/20 0.31
CYP2D6 P10635 1/20 0.31
CYP2C9 P11712 1/20 0.31
APEX1 P27695 1/20 0.31
CYP2C19 P33261 1/20 0.31
RECQL P46063 1/20 0.31
HSD17B10 Q99714 1/20 0.31
HSPD1 P10809 1/20 0.30
HSPE1 P61604 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
SCHEMBL3662743 1.00 TSHR (0.35) TSHRBLMGMNNUSP2CYP1A2
SCHEMBL3660591 1.00 TSHR (0.35) TSHRBLMGMNNUSP2CYP1A2
SCHEMBL3657365 0.95 TSHR (0.31) TSHR
SCHEMBL3662935 0.94 TSHR (0.39) TSHRBLMGMNNUSP2CYP1A2
SCHEMBL1115572 0.89 TSHR (0.35) TSHRBLMGMNNUSP2CYP1A2
SCHEMBL1115339 0.84 TSHR (0.30) TSHR
SCHEMBL3662559 0.81 TSHR (0.35) TSHRRECQL
SCHEMBL1462300 0.78 TSHR (0.38) TSHRBLMGMNNUSP2CYP1A2
SCHEMBL3656473 0.75 TSHR (0.38) TSHRBLMRECQL
SCHEMBL3663294 0.75 TSHR (0.38) TSHRBLMRECQL

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2215134-A2 REDUCTION OF THE FORMATION OF BIOFILM BY MEANS OF MULTIFUNCTIONAL COPOLYMERS Henkel AG & Co. KGaA (DE) 2010-08-11 EP disclosed
WO-2009071451-A2 REDUCTION OF THE FORMATION OF BIOFILM BY MEANS OF MULTIFUNCTIONAL COPOLYMERS HENKEL AG & CO. KGAA (DE) 2009-06-11 WO disclosed