SCHEMBL10830010

SCHEMBL10830010

O=C(c1ccccc1)C(Cc1ccc(O)cc1)OCC(O)CN1CCCCC1

nearest known ligand 0.52

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ABCB1 P08183 13/20 0.52
MAPK1 P28482 1/20 0.50
TSHR P16473 2/20 0.48
RAB9A P51151 1/20 0.48
HSD17B10 Q99714 1/20 0.48
CYP2D6 P10635 1/20 0.48
HIF1A Q16665 1/20 0.48
KDM4E B2RXH2 1/20 0.46
GRIN2D O15399 1/20 0.45
GRIN3B O60391 1/20 0.45
ADRA1D P25100 1/20 0.45
ADRA1A P35348 1/20 0.45
ADRA1B P35368 1/20 0.45
GRIN1 Q05586 1/20 0.45
GRIN2A Q12879 1/20 0.45
GRIN2B Q13224 1/20 0.45
GRIN2C Q14957 1/20 0.45
GRIN3A Q8TCU5 1/20 0.45

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 SCHEMBL10830115 0.92 ABCB1 (0.55) ABCB1MAPK1TSHRRAB9AHSD17B10
SCHEMBL10829982 0.92 MAPK1 (0.55) ABCB1MAPK1TSHRRAB9AHSD17B10
SCHEMBL10829711 0.90 MEN1 (0.56) ABCB1MAPK1TSHRRAB9ACYP2D6
SCHEMBL10830784 0.90 POLB (0.53) ABCB1MAPK1TSHRRAB9AHSD17B10
SCHEMBL10830277 0.90 ABCB1 (0.51) ABCB1MAPK1TSHRCYP2D6HIF1A
SCHEMBL10829678 0.89 ABCB1 (0.52) ABCB1MAPK1TSHRRAB9AHSD17B10
SCHEMBL10830014 0.88 ABCB1 (0.48) ABCB1MAPK1TSHRRAB9AHSD17B10
SCHEMBL10830651 0.87 ABCB1 (0.48) ABCB1MAPK1
SCHEMBL10830019 0.86 ABCB1 (0.55) ABCB1GRIN2DGRIN3BADRA1DADRA1A
SCHEMBL10830049 0.85 ABCB1 (0.48) ABCB1MAPK1TSHRCYP2D6HIF1A

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-4571409-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1986-02-18 US disclosed
EP-0075207-B1 AMINOPROPANOL DERIVATIVES OF 2-HYDROXY-BETA-PHENYL PROPIOPHENONES, PROCESSES FOR THEIR PREPARATION AND THERAPEUTIC AGENTS CONTAINING THEM BASF Aktiengesellschaft (DE) 1986-02-05 EP disclosed
US-4540697-A ANTIARRHYTHMIA AGENTS BASF AKTIENGESELLSCHAFT (DE) 1985-09-10 US disclosed
EP-0075207-A2 Aminopropanol derivatives of 2-hydroxy-beta-phenyl propiophenones, processes for their preparation and therapeutic agents containing them BASF Aktiengesellschaft (DE) 1983-03-30 EP disclosed