SCHEMBL27701745

SCHEMBL27701745

CC(OC(=O)CO)c1ccccc1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HCAR2 Q8TDS4 1/20 0.54
TSHR P16473 1/20 0.50
KDM4E B2RXH2 1/20 0.46
MAPT P10636 1/20 0.46
ALDH1A1 P00352 1/20 0.46
TP53 P04637 1/20 0.46
HSD17B10 Q99714 1/20 0.46
LPAR1 Q92633 3/20 0.44
FFAR1 O14842 1/20 0.44
TRPA1 O75762 1/20 0.42
KLK7 P49862 2/20 0.41
KMT2A Q03164 1/20 0.41
CHRM2 P08172 1/20 0.41
CHRM4 P08173 1/20 0.41
CHRM1 P11229 1/20 0.41
CHRM3 P20309 1/20 0.41
OPRM1 P35372 3/20 0.41
CRHBP P24387 1/20 0.41
CRHR2 Q13324 1/20 0.41

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
SCHEMBL27774184 1.00 HCAR2 (0.54) HCAR2TSHRKDM4EMAPTALDH1A1
SCHEMBL3883004 0.86 HCAR2 (0.56) HCAR2TSHRKDM4EMAPTALDH1A1
SCHEMBL11461421 0.86 HCAR2 (0.56) HCAR2TSHRKDM4EMAPTALDH1A1
SCHEMBL28008075 0.85 HCAR2 (0.51) HCAR2TSHRKDM4EMAPTALDH1A1
Alcohol SCHEMBL28805173 0.85 HCAR2 (0.51) HCAR2TSHRKDM4EMAPTALDH1A1
SCHEMBL14825037 0.85 HCAR2 (0.51) HCAR2TSHRKDM4EMAPTALDH1A1
SCHEMBL3391481 0.85 TSHR (0.71) HCAR2TSHRALDH1A1LPAR1FFAR1
SCHEMBL13046507 0.85 TSHR (0.71) HCAR2TSHRALDH1A1LPAR1FFAR1
SCHEMBL112612 0.85 TSHR (0.71) HCAR2TSHRALDH1A1LPAR1FFAR1
SCHEMBL9231000 0.85 HCAR2 (0.54) HCAR2TSHRKDM4EMAPTALDH1A1

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-106232794-B Fabric care compositions comprising polyurethane, polyurea and/or polyurethaneurea polymers 宝洁公司 2023-04-21 CN disclosed
CN-101177678-B Magnetic nano particle enzyme immobilization as well as preparation method and uses thereof DALIAN CHEMICAL PHYSICS INST 2011-08-31 CN disclosed
CN-101177678-A Magnetic nano particle enzyme immobilization as well as preparation method and uses thereof DALIAN CHEMICAL PHYSICS INST (CN) 2008-05-14 CN disclosed