SCHEMBL11528138

SCHEMBL11528138

COC(=O)CC1=CC2C=CC1C2

nearest known ligand 0.36

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
HSP90AB1 P08238 1/20 0.36
MEN1 O00255 1/20 0.35
KMT2A Q03164 1/20 0.35
CYP4F2 P78329 1/20 0.34
CYP4A11 Q02928 1/20 0.34
EPHX2 P34913 1/20 0.33
MAPT P10636 2/20 0.32
SMN1; SMN2 Q16637 1/20 0.31
ALDH1A1 P00352 1/20 0.31
GAA P10253 1/20 0.31
GFER P55789 1/20 0.31
BRD4 O60885 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
SCHEMBL11526931 0.84 SMN1; SMN2 (0.35) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL11528223 0.81 ALDH1A1 (0.34) ALDH1A1
SCHEMBL15498455 0.78 MCL1 (0.30)
SCHEMBL11529521 0.73 ALDH1A1 (0.37) ALDH1A1
SCHEMBL21711254 0.70 KDM4E (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL4169291 0.70 KDM4E (0.36) MEN1KMT2ASMN1; SMN2ALDH1A1GAA
SCHEMBL18872204 0.70
SCHEMBL28769213 0.66 MEN1 (0.37) HSP90AB1MEN1KMT2ACYP4F2CYP4A11
SCHEMBL18758051 0.64 KDM4E (0.32) ALDH1A1GAA
SCHEMBL13526436 0.63 MIF (0.37) BRD4

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4132750-A RING OPENING POLYMERIZATION OF NORBORNENE DERIVATIVES SHOWA DENKO K.K. (JP) 1979-01-02 US disclosed
US-4080491-A CATALYST CONTAINS ORGANOMETALLIC COMPOUND AND THE REACTION PRODUCT OF TUNGSTEN OR MOLYBDENUM OXIDE AND A PHOSPHOROUS HALIDE OR OXYHALIDE SHOWA DENKO K.K. (JA) 1978-03-21 US disclosed
US-4028482-A LOW VISCOSITY POLYALKENAMER SHOWA DENKO KABUSHIKI KAISHA (JA) 1977-06-07 US disclosed
US-3959234-A CATALYSTS OF ORGANOALUMINUM COMPOUNDS AND A TUNGSTEN OR MOLYBDENUM COMPOUND, RING-OPENING SHOWA DENKO KABUSHIKI KAISHA (JA) 1976-05-25 US disclosed