SCHEMBL5819455

SCHEMBL5819455

CCCCCCCCCCCCCC=CCC1=C(C)C(=O)c2ccccc2C1=O

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 1/20 0.47
PTGS1 P23219 2/20 0.47
PDE4A P27815 2/20 0.47
SNCA P37840 2/20 0.47
PDE3A Q14432 2/20 0.47
MAPT P10636 2/20 0.47
PGR P06401 1/20 0.47
HTR1A P08908 1/20 0.47
ADORA3 P0DMS8 1/20 0.47
MAPK1 P28482 1/20 0.47
DRD3 P35462 1/20 0.47
PKM P14618 3/20 0.45
PTPN1 P18031 1/20 0.41
KDM4E B2RXH2 1/20 0.41
APAF1 O14727 1/20 0.41
MITF O75030 1/20 0.41
ALDH1A1 P00352 1/20 0.41
LMNA P02545 1/20 0.41
HTT P42858 1/20 0.41
SMN1; SMN2 Q16637 1/20 0.41

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
SCHEMBL5819450 1.00 CYP2D6 (0.47) CYP2D6PTGS1PDE4ASNCAPDE3A
SCHEMBL5821764 1.00 CYP2D6 (0.47) CYP2D6PTGS1PDE4ASNCAPDE3A
SCHEMBL5821762 1.00 CYP2D6 (0.47) CYP2D6PTGS1PDE4ASNCAPDE3A
SCHEMBL571773 0.81 MAPT (0.53) PTGS1PDE4ASNCAPDE3AMAPT
SCHEMBL571607 0.79 ALDH1A1 (0.58) MAPTPKMPTPN1KDM4EAPAF1
SCHEMBL572109 0.79 ALDH1A1 (0.58) MAPTPKMPTPN1KDM4EAPAF1
SCHEMBL572045 0.79 ALDH1A1 (0.58) MAPTPKMPTPN1KDM4EAPAF1
SCHEMBL571286 0.79 ALDH1A1 (0.58) MAPTPKMPTPN1KDM4EAPAF1
SCHEMBL15695046 0.79 ALDH1A1 (0.58) MAPTPKMPTPN1KDM4EAPAF1
SCHEMBL572005 0.79 ALDH1A1 (0.58) MAPTPKMPTPN1KDM4EAPAF1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2006107827-A1 SKIN BONDING PROCESS CREIGHTON UNIVERSITY (US) 2006-10-12 WO disclosed