SCHEMBL2493029

SCHEMBL2493029

CCCC(C)c1cccc(O)c1Cl

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.48
KIF11 P52732 1/20 0.42
GABRA1 P14867 3/20 0.39
GABRB2 P47870 2/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP3A4 P08684 2/20 0.36
LMNA P02545 2/20 0.36
GABRG2 P18507 2/20 0.36
GABRB3 P28472 2/20 0.36
FAAH O00519 1/20 0.36
CA1 P00915 1/20 0.36
CA2 P00918 1/20 0.36
HPGD P15428 1/20 0.36
GABRB1 P18505 1/20 0.36
PTGS1 P23219 1/20 0.36
SLC6A2 P23975 1/20 0.36
HTR2C P28335 1/20 0.36

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
SCHEMBL4955633 0.81 TSHR (0.52) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL21776127 0.81 PNMT (0.55) TSHRCYP1A2CYP3A4LMNASLC6A2
SCHEMBL352351 0.81 TSHR (0.73) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL676779 0.80 TSHR (0.50) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL1834375 0.79 GABRA1 (0.54) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL23717567 0.79 CYP1A2 (0.35) TSHRCYP1A2CYP3A4LMNACYP2D6
SCHEMBL6884449 0.79 TSHR (0.48) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL28629753 0.79 TSHR (0.48) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL19780142 0.79 GABRA1 (0.41) TSHRGABRA1GABRB2CYP1A2CYP3A4
SCHEMBL13898976 0.77 SRC (0.36) TSHRCYP3A4LMNAHPGDSLC6A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-112118834-B Oral tablet for inducing saliva production 费尔廷制药公司 2024-01-02 CN disclosed
CN-112118831-B Tabletted chewing gum sweet suitable for active pharmaceutical ingredient 费尔廷制药公司 2023-04-21 CN disclosed
EP-2552497-B1 METHOD OF STERILIZATION OF WOUND DRESSINGS 3M INNOVATIVE PROPERTIES CO (US) 2021-01-13 EP disclosed
US-9439809-B2 Method of sterilization of wound dressings 3M INNOVATIVE PROPERTIES COMPANY (US) 2016-09-13 US disclosed
EP-2552497-A2 METHOD OF STERILIZATION OF WOUND DRESSINGS 3M Innovative Properties Company (US) 2013-02-06 EP disclosed
US-20130011296-A1 METHOD OF STERILIZATION OF WOUND DRESSINGS SOLVENTUM INTELLECTUAL PROPERTIES COMPANY 2013-01-10 US disclosed
WO-2011119393-A2 METHOD OF STERILIZATION OF WOUND DRESSINGS 3M INNOVATIVE PROPERTIES COMPANY (US) 2011-09-29 WO disclosed
EP-1691851-B1 WOUND DRESSINGS AND METHODS 3M INNOVATIVE PROPERTIES CO (US) 2009-05-27 EP disclosed
EP-1691851-A1 WOUND DRESSINGS AND METHODS 3M Innovative Properties Company (US) 2006-08-23 EP disclosed
WO-2005056069-A1 WOUND DRESSINGS AND METHODS 3M INNOVATIVE PROPERTIES COMPANY (US) 2005-06-23 WO disclosed
US-20050123590-A1 Wound dressings and methods 3M INNOVATIVE PROPERTIES COMPANY 2005-06-09 US disclosed
US-6294186-B1 Antimicrobial compositions comprising a benzoic acid analog and a metal salt PROCTER & GAMBLE COMPANY, THR 2001-09-25 US disclosed