SCHEMBL22444539

SCHEMBL22444539

CCCCCC(OCCC)c1ccccc1O

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.43
SLC37A4 O43826 1/20 0.43
GABRA1 P14867 1/20 0.39
GABRB2 P47870 1/20 0.39
PPARG P37231 2/20 0.38
POLB P06746 1/20 0.36
LMNA P02545 2/20 0.36
TP53 P04637 1/20 0.35
CYP3A4 P08684 1/20 0.35
MAPK1 P28482 1/20 0.35
PRSS1 P07477 1/20 0.35
PRSS2 P07478 1/20 0.35
PRSS3 P35030 1/20 0.35
HDAC2 Q92769 1/20 0.34
ALDH1A1 P00352 2/20 0.34
MEN1 O00255 1/20 0.34
MAPT P10636 1/20 0.34
HTT P42858 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34

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
SCHEMBL22444748 0.98 TSHR (0.42) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL22444475 0.98 TSHR (0.42) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL22444504 0.98 TSHR (0.42) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL27823899 0.98 TSHR (0.42) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL28660285 0.95 TSHR (0.44) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL22444743 0.89 TSHR (0.44) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL28656685 0.89 TSHR (0.47) TSHRSLC37A4GABRA1GABRB2POLB
SCHEMBL369707 0.88 TSHR (0.43) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL22444758 0.88 TSHR (0.43) TSHRSLC37A4GABRA1GABRB2PPARG
SCHEMBL22444453 0.88 TSHR (0.43) TSHRSLC37A4GABRA1GABRB2PPARG

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 3 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
WO-2020189201-A1 METHOD FOR PRODUCING BISPHENOL AND METHOD FOR PRODUCING POLYCARBONATE RESIN 三菱ケミカル株式会社 2020-09-24 WO disclosed