SCHEMBL28176299

SCHEMBL28176299

CC(=CC=CC=CC=C(C)C(=O)O)C(=O)O

nearest known ligand 0.68

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS1 P23219 1/20 0.68
ALDH1A1 P00352 2/20 0.39
TDP1 Q9NUW8 2/20 0.39
TSHR P16473 1/20 0.39
ALOX15 P16050 1/20 0.39
RECQL P46063 1/20 0.39
HSD17B10 Q99714 1/20 0.39
AKR1C3 P42330 1/20 0.37
FFAR3 O14843 1/20 0.35
LCK P06239 1/20 0.35
FYN P06241 1/20 0.35
KDM4E B2RXH2 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL346616 0.97 PTGS1 (0.71) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL19152232 0.89 PTGS1 (0.58) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL14953172 0.89 PTGS1 (0.58) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL14953173 0.89 PTGS1 (0.58) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL12418030 0.84 PTGS1 (0.58) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL22009734 0.84 PTGS1 (0.58) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL768990 0.84 PTGS1 (0.58) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL8582233 0.83 PTGS1 (0.52) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL3791596 0.83 PTGS1 (0.55) PTGS1ALDH1A1TDP1TSHRALOX15
SCHEMBL1900173 0.83 PTGS1 (0.55) PTGS1ALDH1A1TDP1TSHRALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-107236465-A A kind of PVC board bonding agent 安徽友捷包装材料有限公司 2017-10-10 CN disclosed