SCHEMBL30440283

SCHEMBL30440283

CC(=O)c1ccc(OC(C)C)c(C(F)(F)F)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RXRA P19793 1/20 0.54
RXRB P28702 1/20 0.54
RXRG P48443 1/20 0.54
ALDH1A1 P00352 5/20 0.49
TSHR P16473 1/20 0.49
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
PKM P14618 1/20 0.47
POLB P06746 1/20 0.47
S1PR3 Q99500 4/20 0.47
SCN9A Q15858 1/20 0.45
KIF11 P52732 1/20 0.44
AKR1C3 P42330 2/20 0.43
AKR1C2 P52895 2/20 0.43
RORC P51449 1/20 0.42
MAPT P10636 3/20 0.42
HTT P42858 2/20 0.41
HPGD P15428 1/20 0.41
NOTUM Q6P988 1/20 0.41
S1PR1 P21453 3/20 0.41

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
SCHEMBL17386570 1.00 RXRA (0.54) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL17386552 0.88 SCN9A (0.45) RXRARXRBRXRGMEN1KMT2A
SCHEMBL403300 0.88 RXRA (0.58) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL17664021 0.86 RXRA (0.53) RXRARXRBRXRGMEN1KMT2A
SCHEMBL1924427 0.85 SCN9A (0.43) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL24860963 0.85 NOTUM (0.60) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL402684 0.85 RXRA (0.52) RXRARXRBRXRGALDH1A1MEN1
SCHEMBL28035308 0.84 RXRA (0.54) RXRARXRBRXRGALDH1A1TSHR
SCHEMBL29638900 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ASCN9A
SCHEMBL79042 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMEN1KMT2ASCN9A

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-110845490-B 2-acylaminothiazole derivative or salt thereof 旭飞药业股份有限公司 2023-03-28 CN disclosed