SCHEMBL816984

SCHEMBL816984

CC/C(=C(/C)c1ccccc1)C1CN1

nearest known ligand 0.38

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ATM Q13315 1/20 0.38
CES2 O00748 3/20 0.37
CES1 P23141 3/20 0.37
ESR1 P03372 3/20 0.36
LMNA P02545 2/20 0.34
BLM P54132 1/20 0.34
CYP19A1 P11511 1/20 0.33
ESR2 Q92731 1/20 0.33
KDM1A O60341 1/20 0.33
PTGS2 P35354 1/20 0.32
L3MBTL1 Q9Y468 2/20 0.32
HTT P42858 2/20 0.32
MAPK1 P28482 1/20 0.32
MAPT P10636 1/20 0.32
SMN1; SMN2 Q16637 1/20 0.32
GRIK2 Q13002 2/20 0.31
MEN1 O00255 1/20 0.31
TSHR P16473 1/20 0.31
KMT2A Q03164 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
SCHEMBL817589 0.77 KMT2A (0.37) MAPTKMT2A
SCHEMBL818792 0.76 GBA1 (0.39) ATMLMNASMN1; SMN2MEN1KMT2A
SCHEMBL817944 0.75 KMT2A (0.44) ATMLMNAMAPTSMN1; SMN2TSHR
SCHEMBL27391060 0.69 CES2 (0.34) CES2CES1ESR1KDM1ATSHR
SCHEMBL2767081 0.69 ATM (0.48) ATMCES2CES1ESR1LMNA
SCHEMBL2767155 0.69 ATM (0.48) ATMCES2CES1ESR1LMNA
SCHEMBL2767079 0.69 ATM (0.48) ATMCES2CES1ESR1LMNA
SCHEMBL28148537 0.67 ESR1 (0.53) ATMCES2CES1ESR1LMNA
SCHEMBL1035354 0.67 ESR1 (0.56) CES2CES1ESR1LMNABLM
SCHEMBL11844374 0.67 ESR1 (0.56) CES2CES1ESR1LMNABLM

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
US-20110275756-A1 CONJUGATED DIENE POLYMER, CONJUGATED DIENE POLYMER COMPOSITION, AND METHOD FOR PRODUCING CONJUGATED DIENE POLYMER SUMITOMO CHEMICAL COMPANY, LIMITED (JP) 2011-11-10 US disclosed