SCHEMBL27449692

SCHEMBL27449692

CC1=Cc2c(-c3ccccc3)cccc2C1[Zr](=[SiH2])(C1CCCCC1)(C1CCCCC1)C1C(C)=Cc2c(-c3ccccc3)cccc21

nearest known ligand 0.33

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
PTGS2 P35354 1/20 0.33
MEN1 O00255 1/20 0.31
KMT2A Q03164 1/20 0.31
ALDH1A1 P00352 1/20 0.31
LMNA P02545 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
HTR2B P41595 1/20 0.31
TMEM97 Q5BJF2 1/20 0.31
USP30 Q70CQ3 1/20 0.30
CYP11B2 P19099 1/20 0.30
BCHE P06276 1/20 0.30
ACHE P22303 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 SCHEMBL440946 0.82 HTR2C (0.31)
SCHEMBL2561824 0.80 PDCD1 (0.33)
Hydrochloric Acid SCHEMBL6056217 0.79 PTGS2 (0.34) PTGS2
Hydrochloric Acid SCHEMBL6436500 0.79 PDCD1 (0.32)
SCHEMBL8853355 0.79 PDCD1 (0.32) HTR2BTMEM97
Fluoride SCHEMBL7638687 0.79 PDCD1 (0.32)
Hydrochloric Acid SCHEMBL271771 0.79 PDCD1 (0.32)
SCHEMBL27449234 0.78 PDCD1 (0.31)
SCHEMBL1240927 0.77 PTGS2 (0.31) PTGS2CYP11B2
SCHEMBL7899913 0.77 PTGS2 (0.31) PTGS2

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
CN-1116852-A Propylene elastomer MITSUI PETROCHEMICAL IND (JP) 1996-02-14 CN disclosed