SCHEMBL11222608

SCHEMBL11222608

CC1=Nc2ccccc2C1(C)CCO

nearest known ligand 0.37

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASP3 P42574 1/20 0.37
RAB9A P51151 1/20 0.37
ATM Q13315 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37
SENP8 Q96LD8 1/20 0.37
SENP7 Q9BQF6 1/20 0.37
SENP6 Q9GZR1 1/20 0.37
TDP1 Q9NUW8 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
KDM4E B2RXH2 1/20 0.33
ALDH1A1 P00352 1/20 0.33
LMNA P02545 1/20 0.33
MDM2 Q00987 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
ADORA3 P0DMS8 1/20 0.32
HTR2A P28223 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
SCHEMBL1715045 0.87 CASP3 (0.34) CASP3RAB9AATMNPSR1SENP8
SCHEMBL101440 0.84 CASP3 (0.35) CASP3RAB9AATMNPSR1SENP8
SCHEMBL10111280 0.81 NPSR1 (0.33) CASP3RAB9AATMNPSR1SENP8
SCHEMBL872507 0.80 CASP3 (0.36) CASP3RAB9AATMNPSR1SENP8
SCHEMBL3790860 0.80 CASP3 (0.36) CASP3RAB9AATMNPSR1SENP8
SCHEMBL3340797 0.79 APEX1 (0.40) CASP3RAB9AATMNPSR1SENP8
SCHEMBL101535 0.77 CASP3 (0.32) CASP3RAB9AATMNPSR1SENP8
SCHEMBL14048649 0.77 APEX1 (0.39) NPSR1ALDH1A1SMN1; SMN2
SCHEMBL7846770 0.77 NPSR1 (0.35) CASP3RAB9AATMNPSR1SENP8
SCHEMBL11225554 0.76 HTR1B (0.39) ALDH1A1LMNA

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-4314058-A Indolins styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1982-02-02 US disclosed
US-4147862-A Method of preparing styryl-like compounds MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-04-03 US disclosed
US-4139274-A Apparatus for changing color MATSUSHITA ELECTRIC INDUSTRIAL CO., LTD. (JP) 1979-02-13 US disclosed