SCHEMBL20630604

SCHEMBL20630604

CC(CCSSCCCC(=O)O)OCCC(C)(C)N

nearest known ligand 0.39

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
FOLH1 Q04609 2/20 0.39
TSHR P16473 2/20 0.33
GABRP O00591 2/20 0.31
GABRD O14764 2/20 0.31
GABRA1 P14867 2/20 0.31
GABRB1 P18505 2/20 0.31
GABRG2 P18507 2/20 0.31
GABRB3 P28472 2/20 0.31
GABRA5 P31644 2/20 0.31
GABRA3 P34903 2/20 0.31
GABRA2 P47869 2/20 0.31
GABRB2 P47870 2/20 0.31
GABRA4 P48169 2/20 0.31
GABRE P78334 2/20 0.31
GABRA6 Q16445 2/20 0.31
GABRG1 Q8N1C3 2/20 0.31
GABRG3 Q99928 2/20 0.31
GABRQ Q9UN88 2/20 0.31
BHMT Q93088 2/20 0.31

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
SCHEMBL20630525 0.86 FOLH1 (0.41) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL23001469 0.82 GABRP (0.42) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL20630504 0.82 FOLH1 (0.37) FOLH1TSHR
SCHEMBL21990987 0.80 AKR1B1 (0.40) FOLH1TSHR
SCHEMBL20629972 0.76 TSHR (0.35) FOLH1TSHR
SCHEMBL25678037 0.72
SCHEMBL21988180 0.70 FOLH1 (0.50) FOLH1TSHRGABRPGABRDGABRA1
SCHEMBL23482920 0.70 CYP2D6 (0.31)
SCHEMBL7384518 0.69 ALOX5 (0.38) TSHRGABRPGABRDGABRA1GABRB1
SCHEMBL22059589 0.69 TSHR (0.36) FOLH1TSHR

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-2019007383-A1 PEPTIDE COMPOUND AND APPLICATION THEREOF, AND COMPOSITION CONTAINING PEPTIDE COMPOUND 凯惠科技发展(上海)有限公司 2019-01-10 WO disclosed