SCHEMBL5709474

SCHEMBL5709474

COc1ccc(C2(CC(=O)O)CCc3cc(Cl)ccc32)cc1.OCCC1(c2ccc(OCc3ccccc3)cc2)CCc2cc(Cl)ccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.40
KDM1A O60341 2/20 0.38
KCNA5 P22460 1/20 0.38
RAB9A P51151 3/20 0.37
SMN1; SMN2 Q16637 3/20 0.37
MRGPRX4 Q96LA9 2/20 0.37
TP53 P04637 1/20 0.37
PKM P14618 1/20 0.37
NFKB1 P19838 1/20 0.37
NFKB2 Q00653 1/20 0.37
RELA Q04206 1/20 0.37
RXFP1 Q9HBX9 1/20 0.37
KDM4E B2RXH2 1/20 0.37
ALDH1A1 P00352 1/20 0.37
CYP1A2 P05177 1/20 0.37
CYP2C9 P11712 1/20 0.37
CYP2C19 P33261 1/20 0.37
FFAR1 O14842 2/20 0.36
RIPK1 Q13546 1/20 0.36
MAOB P27338 1/20 0.36

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
SCHEMBL5709462 0.90 KDM1A (0.45) ARKDM1ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL5709343 0.89 KDM1A (0.46) ARKDM1ARAB9ASMN1; SMN2MRGPRX4
SCHEMBL5709523 0.85 KCNA5 (0.45) ARKCNA5RAB9ASMN1; SMN2ALDH1A1
SCHEMBL5709377 0.85 FFAR1 (0.44) KDM1AMRGPRX4FFAR1MAOBRXRA
SCHEMBL5709381 0.83 KCNA5 (0.44) ARKDM1AKCNA5SMN1; SMN2ALDH1A1
SCHEMBL5709371 0.81 KDM1A (0.47) ARKDM1AMAOBHRH3
SCHEMBL5709406 0.80 KCNA5 (0.43) ARKCNA5SMN1; SMN2TP53ALDH1A1
SCHEMBL5709374 0.79 SLC6A2 (0.47) ARKDM1AKCNA5SMN1; SMN2ALDH1A1
SCHEMBL5709426 0.78 ALDH1A1 (0.43) KCNA5RAB9ASMN1; SMN2ALDH1A1MEN1
SCHEMBL5709477 0.78 KDM1A (0.38) ARKDM1AKCNA5RAB9ASMN1; SMN2

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-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