SCHEMBL28660285

SCHEMBL28660285

CCCCC(OCCC)c1ccccc1O

nearest known ligand 0.44

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.44
GABRA1 P14867 1/20 0.40
GABRB2 P47870 1/20 0.40
LMNA P02545 1/20 0.40
SLC37A4 O43826 1/20 0.38
POLB P06746 2/20 0.37
CA2 P00918 1/20 0.34
ALDH1A1 P00352 1/20 0.34
CYP3A4 P08684 1/20 0.34
PPARG P37231 2/20 0.33
TDP1 Q9NUW8 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
IKBKB O14920 1/20 0.33
GBA1 P04062 1/20 0.33
HDAC2 Q92769 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
SCHEMBL22444539 0.95 TSHR (0.43) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL22444475 0.94 TSHR (0.42) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL22444748 0.94 TSHR (0.42) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL22444504 0.94 TSHR (0.42) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL27823899 0.94 TSHR (0.42) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL28656685 0.90 TSHR (0.47) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL22444756 0.89 TSHR (0.46) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL25271814 0.87 TSHR (0.44) TSHRGABRA1GABRB2LMNASLC37A4
SCHEMBL28638989 0.85 TSHR (0.53) TSHRGABRA1GABRB2LMNAPOLB
SCHEMBL22444743 0.84 TSHR (0.44) TSHRGABRA1GABRB2LMNASLC37A4

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-113574041-B Bisphenol production method and polycarbonate resin production method 三菱化学株式会社 2023-10-13 CN disclosed
CN-113574041-A Method for producing bisphenol and method for producing polycarbonate resin 三菱化学株式会社 2021-10-29 CN disclosed