SCHEMBL30564985

SCHEMBL30564985

COc1ccc2[nH]c(=O)ccc2n1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIRT2 Q8IXJ6 1/20 0.45
SIRT1 Q96EB6 1/20 0.45
CA12 O43570 2/20 0.41
CA9 Q16790 2/20 0.41
HCAR1 Q9BXC0 2/20 0.39
BTK Q06187 1/20 0.37
CA1 P00915 1/20 0.37
CA3 P07451 1/20 0.37
CA4 P22748 1/20 0.37
CA6 P23280 1/20 0.37
CA5A P35218 1/20 0.37
CA7 P43166 1/20 0.37
CA13 Q8N1Q1 1/20 0.37
CA14 Q9ULX7 1/20 0.37
CA5B Q9Y2D0 1/20 0.37
PDE3B Q13370 4/20 0.37
PDE3A Q14432 4/20 0.37
F11 P03951 1/20 0.37
CYP1A2 P05177 2/20 0.36
CYP2E1 P05181 2/20 0.36

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
SCHEMBL8345240 1.00 SIRT2 (0.45) SIRT2SIRT1CA12CA9HCAR1
SCHEMBL3862792 0.76 CYP1A2 (0.39) HCAR1PDE3BPDE3ACYP1A2CYP2E1
SCHEMBL4535528 0.76 CA12 (0.48) CA12CA9HCAR1CA1CA3
SCHEMBL586544 0.74 CLK1 (0.49) SIRT2SIRT1CA12CA9BTK
SCHEMBL16751340 0.73 PDE10A (0.46) SIRT2SIRT1PDE3ACYP1A2POLB
SCHEMBL12614229 0.73 SIRT2 (0.46) SIRT2SIRT1CYP1A2CYP2C19ADORA2A
SCHEMBL29377868 0.73 AXL (0.49) SIRT2SIRT1CYP1A2CYP2C19ADORA2A
SCHEMBL9959317 0.73 AXL (0.49) SIRT2SIRT1CYP1A2CYP2C19ADORA2A
SCHEMBL706097 0.72 DDAH1 (0.43) SIRT2SIRT1BTKCYP1A2ADORA2A
SCHEMBL29547698 0.72 CA12 (0.41) CA12CA9HCAR1CA1CA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-117224450-A Fennel face essence with good moisture retention and preparation method thereof 广州市玑蜜生物科技有限公司 2023-12-15 CN claimed
CN-116687802-A Mouthwash for oral cavity and tooth care and preparation method thereof 广州宏康医药科技有限公司 2023-09-05 CN claimed
CN-117224450-A Fennel face essence with good moisture retention and preparation method thereof 广州市玑蜜生物科技有限公司 2023-12-15 CN disclosed
CN-116687802-A Mouthwash for oral cavity and tooth care and preparation method thereof 广州宏康医药科技有限公司 2023-09-05 CN disclosed