SCHEMBL28593263

SCHEMBL28593263

O=C(O)N1C[C@@H](Oc2ccc(C(F)(F)F)cc2)CC[C@H]1CO

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
TEAD1 P28347 1/20 0.46
LIPG Q9Y5X9 5/20 0.44
LIPC P11150 1/20 0.44
EPHX2 P34913 4/20 0.43
LIPE Q05469 1/20 0.42
MMP2 P08253 2/20 0.41
MMP13 P45452 2/20 0.41
ADRB2 P07550 1/20 0.41
SPHK2 Q9NRA0 2/20 0.41
SPHK1 Q9NYA1 1/20 0.41
HCRTR1 O43613 1/20 0.40
HCRTR2 O43614 1/20 0.40
BCL2A1 Q16548 1/20 0.39
LPL P06858 1/20 0.38
SLC6A5 Q9Y345 1/20 0.38
POLB P06746 1/20 0.38

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
SCHEMBL28587244 0.89 LIPG (0.43) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL28601187 0.89 LIPG (0.43) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL28592884 0.89 LIPG (0.43) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL28586762 0.89 LIPG (0.43) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL28584603 0.87 TEAD1 (0.43) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL23631924 0.85 TEAD1 (0.42) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL28586792 0.85 TEAD1 (0.42) TEAD1LIPGLIPCEPHX2LIPE
SCHEMBL28606430 0.80 HTR2C (0.44) ADRB2
SCHEMBL23632103 0.80 HTR2C (0.44) ADRB2
SCHEMBL23632423 0.79 TEAD1 (0.40) TEAD1LIPGLIPCEPHX2LIPE

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-113072521-A ROR gamma t inhibitor and application thereof in medicine 广东东阳光药业有限公司 2021-07-06 CN disclosed
CN-113072542-A ROR gamma t inhibitor and preparation method and application thereof 广东东阳光药业有限公司 2021-07-06 CN disclosed