SCHEMBL4944281

SCHEMBL4944281

C=Cc1ccc(C2=C(c3ccccc3)C(c3ccccc3)C(c3ccccc3)=C2c2ccccc2)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.43
TSHR P16473 1/20 0.43
PTPN1 P18031 1/20 0.36
HDAC2 Q92769 2/20 0.34
POLB P06746 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32
ABL1 P00519 1/20 0.32
NTRK1 P04629 1/20 0.32
FYN P06241 1/20 0.32
CSF1R P07333 1/20 0.32
RET P07949 1/20 0.32
MET P08581 1/20 0.32
PDGFRB P09619 1/20 0.32
FGFR1 P11362 1/20 0.32
FLT3 P36888 1/20 0.32
MAPK8 P45983 1/20 0.32
GSK3B P49841 1/20 0.32
CDK9 P50750 1/20 0.32
RPS6KA3 P51812 1/20 0.32

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
SCHEMBL4942556 0.95 ALDH1A1 (0.45) ALDH1A1TSHRPTPN1HDAC2POLB
Ethylene SCHEMBL4942079 0.83 LMNA (0.39) ALDH1A1LMNAKDM1AMAOBTP53
SCHEMBL146501 0.83 LMNA (0.41) ALDH1A1LMNAKDM1AMAOBTP53
SCHEMBL18691989 0.83 LMNA (0.41) ALDH1A1LMNAKDM1AMAOBTP53
SCHEMBL4941871 0.81 ALDH1A1 (0.37) ALDH1A1POLBTP53
SCHEMBL15518760 0.81 LMNA (0.40) ALDH1A1LMNAKDM1AMAOBTP53
SCHEMBL4942075 0.79 LMNA (0.34) ALDH1A1LMNATP53
Methylamine SCHEMBL28207862 0.77 ALDH1A1 (0.59) ALDH1A1TSHRHDAC2POLBDAPK3
SCHEMBL28021959 0.77 LMNA (0.30) LMNA
SCHEMBL447854 0.74 ALDH1A1 (0.68) ALDH1A1TSHRHDAC2POLBLMNA

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
US-7417247-B2 Pentaarylcyclopentadienyl units as active units in resistive memory elements INFINEON TECHNOLOGIES, AG (DE) 2008-08-26 US disclosed
EP-1546217-B1 PENTAARYLCYCLOPENTADIENYL UNITS AS ACTIVE UNITS IN RESISTIVE MEMORY ELEMENTS QIMONDA AG (DE) 2007-11-07 EP disclosed
US-20050213413-A1 Pentaarylcyclopentadienyl units as active units in resistive memory elements POLARIS INNOVATIONS LIMITED (IE) 2005-09-29 US disclosed