SCHEMBL5616337

SCHEMBL5616337

C=[Ti](Oc1cccc(C(C)(C)C)c1)C1=CC=CC1

nearest known ligand 0.35

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CYP3A4 P08684 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP2C19 P33261 1/20 0.35
SOD1 P00441 1/20 0.34
LMNA P02545 1/20 0.33
POLB P06746 1/20 0.33
HTT P42858 1/20 0.33
L3MBTL1 Q9Y468 1/20 0.33
GRM2 Q14416 1/20 0.33
RAF1 P04049 1/20 0.31
NR4A1 P22736 1/20 0.31
NR4A2 P43354 1/20 0.31
NR4A3 Q92570 1/20 0.31
HDAC4 P56524 1/20 0.30
HDAC2 Q92769 1/20 0.30
HDAC8 Q9BY41 1/20 0.30
P2RY1 P47900 1/20 0.30

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
Hydrochloric Acid SCHEMBL715131 0.99 CYP3A4 (0.35) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL5553269 0.84 CYP3A4 (0.34) CYP3A4CYP2C9CYP2C19SOD1LMNA
Hydrochloric Acid SCHEMBL715519 0.83 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL8010077 0.82 ALDH1A1 (0.31)
SCHEMBL7878093 0.82
Hydrochloric Acid SCHEMBL714780 0.81 ALDH1A1 (0.31)
SCHEMBL8016683 0.81
Hydrochloric Acid SCHEMBL720171 0.81 POLB (0.32) POLB
Hydrochloric Acid SCHEMBL2382368 0.80 CYP3A4 (0.33) CYP3A4CYP2C9CYP2C19SOD1LMNA
SCHEMBL4410839 0.80 NR4A1 (0.34) CYP3A4CYP2C9CYP2C19SOD1POLB

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-2007023618-A1 HOMOPOLYMER AND COPOLYMER, AND PRODUCTION PROCESS THEREOF SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2007-03-01 WO disclosed