SCHEMBL28955191

SCHEMBL28955191

CCCCCCC[CH]C(C)=O

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 1/20 0.50
EP300 Q09472 1/20 0.50
TERT O14746 3/20 0.48
PTPN1 P18031 3/20 0.48
PPARG P37231 3/20 0.48
PPARD Q03181 3/20 0.48
PPARA Q07869 3/20 0.48
CYP1A2 P05177 2/20 0.48
MAPT P10636 2/20 0.48
CYP2C19 P33261 2/20 0.48
BLM P54132 2/20 0.48
HSD17B10 Q99714 2/20 0.48
FABP4 P15090 2/20 0.48
FAAH O00519 2/20 0.48
KMT2A Q03164 2/20 0.48
TOP1 P11387 2/20 0.48
GMNN O75496 1/20 0.48
USP2 O75604 1/20 0.48
LMNA P02545 1/20 0.48
POLB P06746 1/20 0.48

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
SCHEMBL17707230 1.00 TSHR (0.50) TSHREP300TERTPTPN1PPARG
SCHEMBL28605583 1.00 TSHR (0.50) TSHREP300TERTPTPN1PPARG
SCHEMBL8776761 1.00 TSHR (0.50) TSHREP300TERTPTPN1PPARG
SCHEMBL8668253 1.00 TSHR (0.50) TSHREP300TERTPTPN1PPARG
SCHEMBL4653362 1.00 TSHR (0.50) TSHREP300TERTPTPN1PPARG
SCHEMBL130284 0.97
SCHEMBL28191626 0.93 FAAH (0.59) TERTPTPN1PPARGPPARDPPARA
SCHEMBL125167 0.90
SCHEMBL3124771 0.80 EP300 (0.56) TSHREP300TERTPTPN1PPARG
SCHEMBL159834 0.80 EP300 (0.56) TSHREP300TERTPTPN1PPARG

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-115551841-A Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor 爱杜西亚药品有限公司 2022-12-30 CN claimed
CN-115551841-A Azetidin-3-ylcarbinol derivatives as modulators of the CCR6 receptor 爱杜西亚药品有限公司 2022-12-30 CN disclosed