SCHEMBL9504633

SCHEMBL9504633

CCCC(NC(C)=O)(Oc1c(C)cccc1C)C1CCCc2c1ccc(OCc1ccccc1)c2OCc1ccccc1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PTGER4 P35408 2/20 0.37
PTGER3 P43115 2/20 0.37
PTGER2 P43116 2/20 0.37
PTPN1 P18031 1/20 0.36
PTGER1 P34995 1/20 0.36
TAOK1 Q7L7X3 1/20 0.36
TAOK3 Q9H2K8 1/20 0.36
LIPG Q9Y5X9 1/20 0.35
BRD4 O60885 2/20 0.34
HTR1A P08908 1/20 0.34
ADRA1D P25100 1/20 0.34
ADRA1A P35348 1/20 0.34
ADRA1B P35368 1/20 0.34
NPC1 O15118 1/20 0.34
PKM P14618 1/20 0.34
RAB9A P51151 1/20 0.34
RXRA P19793 2/20 0.34
RXRB P28702 2/20 0.34
RXRG P48443 2/20 0.34
CA1 P00915 1/20 0.34

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
SCHEMBL9503470 0.92 CA1 (0.40) NPC1PKMRAB9ACA1CA2
SCHEMBL9504640 0.71 PTGER4 (0.37) PTGER4PTGER3PTGER2PTPN1PTGER1
SCHEMBL9504636 0.70 TAOK1 (0.38) PTGER4PTGER3PTGER2PTPN1PTGER1
SCHEMBL21091907 0.70 KMT2A (0.51) PTPN1LIPGHTR1ARXRARXRB
SCHEMBL21091908 0.70 KMT2A (0.51) PTPN1LIPGHTR1ARXRARXRB
SCHEMBL8548581 0.68 CA1 (0.47) PTPN1TAOK1TAOK3BRD4CA1
SCHEMBL22657339 0.66 MAOA (0.44) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL9503481 0.65 AGTR2 (0.40) CA1CA2ACHETRPM8
SCHEMBL22657362 0.63 ADRB2 (0.52) HTR1AADRA1DADRA1AADRA1BNPC1
SCHEMBL22657361 0.63 ADRB2 (0.52) HTR1AADRA1DADRA1AADRA1BNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0321968-B1 COMPOUNDS ACTIVE ON THE CARDIOVASCULAR SYSTEM ZAMBON GROUP S.p.A. (IT) 1993-07-28 EP disclosed
US-5151414-A Hypotensive agents SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1992-09-29 US disclosed
US-5070106-A HYPOTENSIVES, CEREBRAL DISORDERS SIMES SOCIETA ITALIANA MEDICINALI E SINTETICI S.P.A. (IT) 1991-12-03 US disclosed