SCHEMBL8084953

SCHEMBL8084953

Cc1ccc(OO[Ti](OOc2ccc(C)cc2)(OOc2ccc(C)cc2)OOc2ccc(C)cc2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ACHE P22303 4/20 0.48
TDP1 Q9NUW8 2/20 0.42
CYP3A4 P08684 1/20 0.41
TSHR P16473 1/20 0.41
TEAD4 Q15561 1/20 0.41
KMT2A Q03164 2/20 0.39
ALDH1A1 P00352 2/20 0.39
POLB P06746 1/20 0.39
MAPT P10636 1/20 0.39
MEN1 O00255 1/20 0.39
LMNA P02545 1/20 0.39
CA1 P00915 2/20 0.38
CA2 P00918 2/20 0.38
CA9 Q16790 2/20 0.38
RELA Q04206 1/20 0.38
NPC1 O15118 1/20 0.36
RAB9A P51151 1/20 0.36
DRD2 P14416 1/20 0.34
DRD4 P21917 1/20 0.34
DRD3 P35462 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
SCHEMBL686365 0.80 ACHE (0.61) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL15467802 0.75 ACHE (0.55) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL9543515 0.75 ACHE (0.55) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL1361967 0.72 ACHE (0.52) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL14224220 0.72 ACHE (0.60) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL10530254 0.70 ACHE (0.50) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL10522933 0.70 ACHE (0.53) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL12863492 0.70 ACHE (0.50) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL15956243 0.68 ACHE (0.68) ACHETDP1CYP3A4TSHRTEAD4
SCHEMBL11580657 0.68 ACHE (0.48) ACHETDP1CYP3A4TSHRTEAD4

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-0780361-B1 Manufacturing method for aromatic carbonates GEN ELECTRIC (US) 2000-09-06 EP disclosed
EP-0780361-A1 Manufacturing method for aromatic carbonates GENERAL ELECTRIC COMPANY (US) 1997-06-25 EP disclosed