SCHEMBL27414429

SCHEMBL27414429

C1CCCC2(CCC1)CCNC2

nearest known ligand 0.68

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
TSHR P16473 3/20 0.38
SOS1 Q07889 1/20 0.34
SOS2 Q07890 1/20 0.34
ALDH1A1 P00352 5/20 0.32
CYP3A4 P08684 4/20 0.32
CYP2D6 P10635 4/20 0.32
USP2 O75604 3/20 0.32
CYP1A2 P05177 2/20 0.32
L3MBTL3 Q96JM7 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
HSD17B10 Q99714 1/20 0.32
CYP11B1 P15538 1/20 0.31
CYP2C19 P33261 1/20 0.31
CYP2C9 P11712 1/20 0.30
HTR2A P28223 1/20 0.30

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
SCHEMBL1372723 1.00 TSHR (0.38) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL1829807 1.00 TSHR (0.38) TSHRSOS1SOS2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL8741359 0.97 TSHR (0.41) TSHRSOS1SOS2ALDH1A1CYP3A4
Hydrochloric Acid SCHEMBL1372820 0.97 TSHR (0.41) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL28024 0.97
SCHEMBL1794983 0.91
SCHEMBL5438837 0.89 ALDH1A1 (0.40) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL17609103 0.88 ALDH1A1 (0.44) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL1829577 0.88 ALDH1A1 (0.40) TSHRSOS1SOS2ALDH1A1CYP3A4
SCHEMBL11013028 0.88 ALDH1A1 (0.44) TSHRSOS1SOS2ALDH1A1CYP3A4

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
WO-2024097296-A1 ANTI-VIRAL COMPOUNDS ALIGOS THERAPEUTICS, INC. (US) 2024-05-10 WO disclosed