SCHEMBL29453753

SCHEMBL29453753

CCOC(=O)c1ccccc1B1OC(C)(C)C(C)(C)O1

nearest known ligand 0.57

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 5/20 0.57
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 3/20 0.50
UCHL1 P09936 1/20 0.47
CDC25B P30305 2/20 0.43
LMNA P02545 2/20 0.42
KDM4E B2RXH2 2/20 0.42
MAOB P27338 1/20 0.42
KMT2A Q03164 2/20 0.41
CDC25A P30304 1/20 0.41
CDC25C P30307 1/20 0.41
MEN1 O00255 1/20 0.41
USP2 O75604 1/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
MAPT P10636 1/20 0.41
CYP2C9 P11712 1/20 0.41
ALOX15 P16050 1/20 0.41
CYP2C19 P33261 1/20 0.41
MAPK10 P53779 1/20 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
SCHEMBL11662 1.00 TSHR (0.57) TSHRALDH1A1HSD17B10UCHL1CDC25B
Benzoic Acid SCHEMBL22719459 0.92 TSHR (0.49) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL12215764 0.89 TSHR (0.50) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL12215759 0.86 TSHR (0.47) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL24378834 0.85 TSHR (0.46) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL29518411 0.85 TSHR (0.46) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL30353939 0.83 TSHR (0.47) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL30509077 0.83 ALDH1A1 (0.42) TSHRALDH1A1HSD17B10UCHL1LMNA
SCHEMBL29518456 0.83 TSHR (0.47) TSHRALDH1A1HSD17B10UCHL1CDC25B
SCHEMBL24379045 0.83 TSHR (0.47) TSHRALDH1A1HSD17B10UCHL1CDC25B

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
WO-2024071629-A1 NOVEL FLUORENE DERIVATIVE COMPOUND AND USE THEREOF (주)제이디바이오사이언스 2024-04-04 WO disclosed
EP-3976186-A1 COMPOUNDS, COMPOSITIONS, AND METHODS OF USE Sage Therapeutics, Inc. (US) 2022-04-06 EP disclosed