SCHEMBL5709462

SCHEMBL5709462

O=C(O)CC1(c2ccc(OCc3ccccc3)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 2/20 0.45
RXRA P19793 3/20 0.42
RXRB P28702 3/20 0.42
RXRG P48443 3/20 0.42
MRGPRX4 Q96LA9 1/20 0.42
MAOB P27338 4/20 0.41
MAOA P21397 3/20 0.41
SIGMAR1 Q99720 2/20 0.40
NR4A2 P43354 2/20 0.40
FFAR1 O14842 2/20 0.40
FFAR4 Q5NUL3 1/20 0.40
NPC1 O15118 2/20 0.40
RAB9A P51151 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MEN1 O00255 1/20 0.40
KMT2A Q03164 1/20 0.40
ALDH1A1 P00352 1/20 0.40
POLB P06746 1/20 0.40
ALOX12 P18054 1/20 0.40
HTT P42858 1/20 0.40

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
SCHEMBL5709474 0.90 AR (0.40) KDM1ARXRARXRBRXRGMRGPRX4
SCHEMBL5709377 0.90 FFAR1 (0.44) KDM1ARXRARXRBRXRGMRGPRX4
SCHEMBL5709343 0.86 KDM1A (0.46) KDM1ARXRARXRBRXRGMRGPRX4
SCHEMBL5709371 0.85 KDM1A (0.47) KDM1AMAOBMAOASIGMAR1HRH3
SCHEMBL27660700 0.84 HSD11B1 (0.42) KDM1ASIGMAR1ALDH1A1
SCHEMBL5709364 0.84 HSD11B1 (0.42) KDM1ASIGMAR1ALDH1A1
SCHEMBL27680729 0.84 HSD11B1 (0.42) KDM1ASIGMAR1ALDH1A1
SCHEMBL5709523 0.84 KCNA5 (0.45) RAB9ASMN1; SMN2MEN1KMT2AALDH1A1
SCHEMBL5709411 0.82 LTA4H (0.38) KDM1ANPC1RAB9ASMN1; SMN2MEN1
SCHEMBL5709412 0.82 KDM1A (0.38) KDM1ARXRARXRBRXRGMAOB

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
CN-1950328-A Phenyl indan derivatives LUNDBECK & CO AS H (DK) 2007-04-18 CN disclosed
EP-1727785-A1 PHENYL INDAN DERIVATIVES H.Lundbeck A/S (DK) 2006-12-06 EP disclosed
WO-2005087708-A1 PHENYL INDAN DERIVATIVES H. LUNDBECK A/S (DK) 2005-09-22 WO disclosed