SCHEMBL29193293

SCHEMBL29193293

CCCCCCCCCCCCCCCCCCC[C@@H](CO)OCc1ccc(OC)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TBXAS1 P24557 3/20 0.43
HDAC2 Q92769 2/20 0.42
CYP2C9 P11712 1/20 0.42
TSHR P16473 1/20 0.42
MMP9 P14780 4/20 0.41
MMP13 P45452 4/20 0.41
ADAM17 P78536 4/20 0.41
MMP1 P03956 4/20 0.41
CNR2 P34972 4/20 0.41
CALM1 P0DP23 1/20 0.41
MMP2 P08253 1/20 0.40
MMP3 P08254 1/20 0.40
IDO1 P14902 1/20 0.40
AGXT P21549 1/20 0.40
HDAC3 O15379 1/20 0.40
HDAC4 P56524 1/20 0.40
HDAC1 Q13547 1/20 0.40
HDAC7 Q8WUI4 1/20 0.40
HDAC10 Q969S8 1/20 0.40
HDAC11 Q96DB2 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
SCHEMBL13030124 1.00 TBXAS1 (0.43) TBXAS1HDAC2CYP2C9TSHRMMP9
SCHEMBL29193294 1.00 TBXAS1 (0.43) TBXAS1HDAC2CYP2C9TSHRMMP9
SCHEMBL7140177 0.91 TBXAS1 (0.43) TBXAS1HDAC2MMP9MMP13ADAM17
SCHEMBL7140172 0.91 TBXAS1 (0.43) TBXAS1HDAC2MMP9MMP13ADAM17
SCHEMBL13030081 0.91 TBXAS1 (0.43) TBXAS1HDAC2MMP9MMP13ADAM17
SCHEMBL25266313 0.85 TBXAS1 (0.50) TBXAS1CYP2C9TSHRCNR2CNR1
SCHEMBL25208078 0.85 TBXAS1 (0.50) TBXAS1CYP2C9TSHRCNR2CNR1
SCHEMBL1360010 0.84 MMP9 (0.53) TBXAS1HDAC2MMP9MMP13ADAM17
SCHEMBL2638976 0.84 MMP9 (0.53) TBXAS1HDAC2MMP9MMP13ADAM17
SCHEMBL1358444 0.84 MMP9 (0.53) TBXAS1HDAC2MMP9MMP13ADAM17

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-117858881-A Phospholipid compounds and methods of making and using the same 吉利德科学公司 2024-04-09 CN disclosed