SCHEMBL11720544

SCHEMBL11720544

CCOC(=O)OC(=O)c1csc(CCCCC(=O)O)c1N

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 2/20 0.34
TDP1 Q9NUW8 2/20 0.34
TSHR P16473 1/20 0.34
MAPT P10636 3/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 0.34
ALDH1A1 P00352 1/20 0.34
LTB4R Q15722 7/20 0.34
KDM4E B2RXH2 1/20 0.34
CASP3 P42574 1/20 0.34
ATM Q13315 1/20 0.34
SMN1; SMN2 Q16637 1/20 0.34
SENP7 Q9BQF6 1/20 0.34
SENP6 Q9GZR1 1/20 0.34
L3MBTL1 Q9Y468 1/20 0.34
PPARG P37231 1/20 0.33
NCOA2 Q15596 1/20 0.33
NCOA1 Q15788 1/20 0.33

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
SCHEMBL11722409 0.82 POLB (0.36) POLBTDP1MAPTNPC1RAB9A
SCHEMBL11259455 0.82 SMN1; SMN2 (0.41) POLBTDP1TSHRMAPTNPC1
SCHEMBL11716144 0.79 LTB4R (0.40) TSHRMAPTALDH1A1LTB4R
Hydrochloric Acid SCHEMBL11251505 0.77 LTB4R (0.40) TSHRMAPTLTB4R
SCHEMBL11720804 0.75 LTB4R (0.38) MAPTALDH1A1LTB4R
SCHEMBL3219948 0.73 HSP90AA1 (0.48) POLBTSHRMAPTNPC1RAB9A
Hydrochloric Acid SCHEMBL11109077 0.72 ALDH1A1 (0.48) POLBTDP1TSHRMAPTNPC1
SCHEMBL11255526 0.71 HPGD (0.41) POLBTSHRMAPTNPC1RAB9A
SCHEMBL9724742 0.71 KDM4E (0.42) POLBTDP1TSHRMAPTKMT2A
SCHEMBL9686955 0.70 PPARA (0.41) TSHRPPARG

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