SCHEMBL11716144

SCHEMBL11716144

Nc1c(C(=O)O)csc1CCCCC(=O)O

nearest known ligand 0.40

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
LTB4R Q15722 10/20 0.40
F13A1 P00488 3/20 0.39
RXFP1 Q9HBX9 2/20 0.39
MAPT P10636 1/20 0.39
LMNA P02545 2/20 0.35
ALDH1A1 P00352 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 1/20 0.35
TSHR P16473 1/20 0.35

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
Hydrochloric Acid SCHEMBL11251505 0.98 LTB4R (0.40) LTB4RF13A1RXFP1MAPTTSHR
SCHEMBL11719884 0.88 LTB4R (0.39) LTB4RF13A1RXFP1MAPTLMNA
SCHEMBL11720804 0.86 LTB4R (0.38) LTB4RF13A1RXFP1MAPTLMNA
SCHEMBL11259455 0.85 SMN1; SMN2 (0.41) LTB4RF13A1RXFP1MAPTLMNA
SCHEMBL9686955 0.84 PPARA (0.41) TSHR
SCHEMBL11720544 0.79 POLB (0.34) LTB4RMAPTALDH1A1TSHR
SCHEMBL3221087 0.78 GABRP (0.37) MAPTALDH1A1TSHR
SCHEMBL11722474 0.75 LTB4R (0.36) LTB4RF13A1RXFP1MAPT
SCHEMBL3084169 0.74 GABRP (0.40) MAPTALDH1A1TSHR
SCHEMBL11718479 0.74 LTB4R (0.39) LTB4RF13A1RXFP1MAPTLMNA

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
US-4029647-A Synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1977-06-14 US disclosed
US-3978084-A Synthesis of biotin HOFFMANN-LA ROCHE INC. (US) 1976-08-31 US disclosed