SCHEMBL9525416

SCHEMBL9525416

O=C(O)C1CCCO1.O=C(OCc1ccccc1)C1CCCO1

nearest known ligand 0.53

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.53
KDM4E B2RXH2 4/20 0.47
HSD17B10 Q99714 1/20 0.47
TSHR P16473 1/20 0.46
FABP7 O15540 1/20 0.46
FABP5 Q01469 1/20 0.46
CYP1A2 P05177 1/20 0.46
LMNA P02545 1/20 0.45
NPSR1 Q6W5P4 1/20 0.45
NPC1 O15118 4/20 0.45
RAB9A P51151 4/20 0.45
SMN1; SMN2 Q16637 3/20 0.45
POLB P06746 3/20 0.45
TP53 P04637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
HPGD P15428 1/20 0.43
GAA P10253 1/20 0.43
RECQL P46063 1/20 0.43

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
SCHEMBL7261536 0.96 ALDH1A1 (0.56) ALDH1A1KDM4EHSD17B10TSHRFABP7
SCHEMBL21886493 0.92 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TSHRFABP7
SCHEMBL26048629 0.92 ALDH1A1 (0.52) ALDH1A1KDM4EHSD17B10TSHRFABP7
SCHEMBL19830987 0.88 TSHR (0.49) ALDH1A1TSHRFABP7FABP5NPSR1
SCHEMBL28117364 0.82 TSHR (0.47) ALDH1A1TSHRFABP7FABP5NPSR1
Benzylamine SCHEMBL28176561 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRCYP1A2LMNA
Benzylamine SCHEMBL28177489 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRCYP1A2LMNA
Benzylamine SCHEMBL28176559 0.80 ALDH1A1 (0.55) ALDH1A1KDM4ETSHRCYP1A2LMNA
SCHEMBL24175315 0.80 TSHR (0.45) ALDH1A1TSHRFABP7FABP5CYP1A2
SCHEMBL29433900 0.79 ALDH1A1 (0.52) ALDH1A1TSHRFABP7FABP5LMNA

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
EP-0536329-A4 R(+)-TERAZOSIN 1993-05-19 EP disclosed
EP-0536329-A1 R(+)-TERAZOSIN. ABBOTT LAB (US) 1993-04-14 EP disclosed