SCHEMBL28500239

SCHEMBL28500239

CC1=C(c2ccccc2)C(c2ccccc2)=C(C)C1c1ccccc1Cn1cccc1.C[Ti](C)C

nearest known ligand 0.35

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.35
LMNA P02545 2/20 0.35
HTT P42858 2/20 0.35
CYP11B1 P15538 2/20 0.32
CYP11B2 P19099 2/20 0.32
RAB9A P51151 1/20 0.31

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
SCHEMBL28506920 0.96 SMN1; SMN2 (0.37) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
SCHEMBL28494588 0.78 IDO1 (0.32)
SCHEMBL28494644 0.73 IDO1 (0.34)
SCHEMBL28503244 0.73 LMNA (0.35) LMNA
SCHEMBL28495517 0.70 CYP11B1 (0.36) CYP11B1CYP11B2
SCHEMBL28504220 0.69 ALDH1A1 (0.33) LMNA
SCHEMBL28496027 0.68 PDE4B (0.30)
SCHEMBL28506921 0.65 CYP11B1 (0.39) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
SCHEMBL27383724 0.64 CYP11B1 (0.61) SMN1; SMN2LMNAHTTCYP11B1CYP11B2
SCHEMBL9765618 0.60 CYP11B1 (0.61) LMNAHTTCYP11B1CYP11B2

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
CN-111620914-B Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2021-03-19 CN disclosed
CN-111620914-A Side-arm metallocene tetravalent transition metal complex containing neutral benzyl heteroatom ligand and application thereof 吉林大学 2020-09-04 CN disclosed