SCHEMBL24960558

SCHEMBL24960558

CCCCNCCCC1=NOC(C)C1

nearest known ligand 0.34

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.34
ALDH1A1 P00352 1/20 0.34
HRH4 Q9H3N8 2/20 0.33
HRH3 Q9Y5N1 2/20 0.33
SIGMAR1 Q99720 1/20 0.31
F10 P00742 2/20 0.31
LMNA P02545 1/20 0.30
SMN1; SMN2 Q16637 1/20 0.30
ITGB3 P05106 2/20 0.30
ITGA2B P08514 2/20 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
SCHEMBL12460946 0.88 F10 (0.31) F10
SCHEMBL12461518 0.86 F10 (0.35) SIGMAR1F10
Propylene Oxide SCHEMBL28348097 0.69 ALDH1A1 (0.50) TSHRALDH1A1SIGMAR1SMN1; SMN2
SCHEMBL27946380 0.63 TSHR (0.79) TSHRALDH1A1SIGMAR1LMNA
SCHEMBL2532 0.63
Propylene Oxide SCHEMBL11245052 0.62 ALDH1A1 (0.59) TSHRALDH1A1SIGMAR1
SCHEMBL5323389 0.61 TSHR (0.73) TSHRALDH1A1SIGMAR1LMNA
SCHEMBL10789228 0.61 TSHR (0.73) TSHRALDH1A1SIGMAR1LMNA
Methane SCHEMBL9860576 0.61 TSHR (0.73) TSHRALDH1A1SIGMAR1LMNA
SCHEMBL3692236 0.61 TSHR (0.73) TSHRALDH1A1SIGMAR1LMNA

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-2023288253-A1 SMALL MOLECULES INHIBITORS OF CYCLIC GMP-AMP SYNTHASE (CGAS) THE SCRIPPS RESEARCH INSTITUTE (US) 2023-01-19 WO disclosed