SCHEMBL28629753

SCHEMBL28629753

CCCC(C)c1cccc(O)c1Br

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.48
GABRA1 P14867 4/20 0.39
GABRB2 P47870 3/20 0.39
HDAC4 P56524 1/20 0.37
HDAC2 Q92769 1/20 0.37
HDAC8 Q9BY41 1/20 0.37
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
LMNA P02545 1/20 0.36
CYP1A2 P05177 1/20 0.36
CYP3A4 P08684 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
GABRA5 P31644 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
SCHEMBL352351 0.81 TSHR (0.73) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL676779 0.80 TSHR (0.50) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL1834375 0.79 GABRA1 (0.54) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL6884449 0.79 TSHR (0.48) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL2493029 0.79 TSHR (0.48) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL31634517 0.77 GABRA1 (0.60) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL3604233 0.77 GABRA1 (0.60) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL982415 0.75 TSHR (0.53) TSHRGABRA1GABRB2HDAC4HDAC2
SCHEMBL17226938 0.75 GABRA1 (0.46) TSHRGABRA1GABRB2HDAC4HDAC2

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
CN-116888249-A Effervescent bactericidal composition 雷克特和科尔曼(海外)家用卫生有限公司 2023-10-13 CN disclosed
CN-113301802-A Synergistic preservative compositions, methods of making and methods of using the same ISP投资有限公司 2021-08-24 CN disclosed