SCHEMBL11259455

SCHEMBL11259455

COC(=O)c1csc(CCCCC(=O)O)c1N

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 1/20 0.41
RXFP1 Q9HBX9 3/20 0.41
LTB4R Q15722 5/20 0.40
HSD17B10 Q99714 3/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2C9 P11712 1/20 0.40
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
ALDH1A1 P00352 3/20 0.36
TSHR P16473 2/20 0.36
KDM4E B2RXH2 1/20 0.36
HPGD P15428 1/20 0.36
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
F13A1 P00488 3/20 0.35
MAPT P10636 1/20 0.35
CFTR P13569 1/20 0.35
LMNA P02545 1/20 0.35
PRNP P04156 1/20 0.35
RECQL P46063 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
SCHEMBL11255526 0.89 HPGD (0.41) HSD17B10CYP1A2POLBALDH1A1TSHR
SCHEMBL9724742 0.85 KDM4E (0.42) SMN1; SMN2HSD17B10CYP1A2POLBTDP1
SCHEMBL11716144 0.85 LTB4R (0.40) RXFP1LTB4RALDH1A1TSHRF13A1
SCHEMBL11720804 0.84 LTB4R (0.38) RXFP1LTB4RALDH1A1F13A1MAPT
Hydrochloric Acid SCHEMBL11251505 0.84 LTB4R (0.40) RXFP1LTB4RTSHRF13A1MAPT
SCHEMBL11719884 0.82 LTB4R (0.39) RXFP1LTB4RALDH1A1F13A1MAPT
SCHEMBL11720544 0.82 POLB (0.34) SMN1; SMN2LTB4RPOLBTDP1ALDH1A1
SCHEMBL3216608 0.80 KDM4E (0.44) RXFP1HSD17B10POLBALDH1A1TSHR
Hydrochloric Acid SCHEMBL11104467 0.79 KDM4E (0.43) RXFP1HSD17B10POLBALDH1A1TSHR
SCHEMBL11718479 0.78 LTB4R (0.39) RXFP1LTB4RALDH1A1TSHRF13A1

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4360681-A ANTILIPOLYTIC OR DIETETIC AGENT, INTERMEDIATE FOR BIOTIN HOFFMANN-LA ROCHE INC. (US) 1982-11-23 US disclosed
US-4299968-A CHEMICAL INTERMEDIATES FOR BIOTIN AND BLOOD LIPID LOWERING AGENTS HOFFMANN-LA ROCHE INC. (US) 1981-11-10 US disclosed
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