SCHEMBL4590084

SCHEMBL4590084

C1=C2CCCCC2CCC1.C1CCC2CCCCC2C1

nearest known ligand 0.41

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 1/20 0.41
ALDH1A1 P00352 1/20 0.35
MAPT P10636 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
Biphenyl SCHEMBL8632177 0.94 KDM1A (0.44) KDM1AALDH1A1MAPT
SCHEMBL80431 0.93 KDM1A (0.45) KDM1AMAPT
Methane SCHEMBL7149466 0.91 KDM1A (0.43) KDM1AMAPT
Methane SCHEMBL10447590 0.91 KDM1A (0.43) KDM1AMAPT
SCHEMBL1556348 0.91 KDM1A (0.43) KDM1AMAPT
SCHEMBL122872 0.89 KDM1A (0.50) KDM1AMAPT
SCHEMBL1904517 0.89 KDM1A (0.50) KDM1AMAPT
SCHEMBL235344 0.86 KDM1A (0.48) KDM1AMAPT
SCHEMBL6682662 0.86 KDM1A (0.48) KDM1AMAPT
SCHEMBL123151 0.86 KDM1A (0.48) KDM1AMAPT

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
WO-2008134035-A1 ALPHA-UNSUBSTITUTED ARYLMETHYL PIPERAZINE PYRAZOLO[1,5-A] PYRIMIDINE AMIDE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-11-06 WO disclosed
WO-2008057420-A2 EXTENDED TRITERPENE DERIVATIVES PANACOS PHARMACEUTICALS, INC. (US) 2008-05-15 WO disclosed