SCHEMBL22454375

SCHEMBL22454375

C=C(CCC)c1ccc(O)c(O)c1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CA12 O43570 4/20 0.46
CA1 P00915 4/20 0.46
CA2 P00918 4/20 0.46
CA7 P43166 4/20 0.46
CA9 Q16790 4/20 0.46
CA14 Q9ULX7 4/20 0.46
IAPP P10997 2/20 0.43
KDM4E B2RXH2 2/20 0.42
GAA P10253 2/20 0.42
POLB P06746 1/20 0.42
MAPT P10636 1/20 0.42
CA4 P22748 1/20 0.42
CA6 P23280 1/20 0.42
PTGS2 P35354 1/20 0.42
L3MBTL1 Q9Y468 1/20 0.42
TRPA1 O75762 1/20 0.42
DBH P09172 1/20 0.41
RECQL P46063 1/20 0.41
XDH P47989 1/20 0.41
EGFR P00533 1/20 0.40

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
SCHEMBL12676202 0.83 CA12 (0.48) CA12CA1CA2CA7CA9
SCHEMBL9627145 0.77 HSD17B3 (0.57) MAPTPTGS2SLC6A2SLC6A3HSD17B3
SCHEMBL5681582 0.76 HSD17B3 (0.62) CA12CA1CA2CA7CA9
SCHEMBL24633879 0.74 PDE4A (0.37) KDM4EGAAMAPTL3MBTL1HSD17B3
SCHEMBL20619804 0.74 MAOA (0.44) POLBSLC6A2SLC6A3HDAC6
SCHEMBL28930609 0.74 HSD17B3 (0.33) L3MBTL1HSD17B3
SCHEMBL20686672 0.74 ESR1 (0.49) PTGS2HSD17B3
SCHEMBL21382648 0.73 HDAC1 (0.55) KDM4EMAPTPTGS2EGFR
SCHEMBL7197697 0.72 ALDH1A1 (0.41) KDM4EGAAL3MBTL1HSD17B3HDAC6
SCHEMBL10131587 0.72 TSHR (0.52) CA12CA1CA2CA7CA9

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
US-20200299556-A1 COACERVATE FORMED FROM CATECHOL-SUBSTITUTED ANIONIC POLYMER, ADHESIVE COMPRISING SAME, AND METHOD FOR PRODUCING SAME POSTECH ACADEMY-INDUSTRY FOUNDATION (KR) 2020-09-24 US disclosed