SCHEMBL6473114

SCHEMBL6473114

CC(C)([O])COc1c(C(C)(C)C)cccc1C(C)(C)C

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CA2 P00918 1/20 0.40
ALDH1A1 P00352 7/20 0.40
KDM4E B2RXH2 3/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
GAA P10253 2/20 0.36
GABRA1 P14867 1/20 0.35
GABRB2 P47870 1/20 0.35
NAMPT P43490 1/20 0.35
TSHR P16473 1/20 0.34
TDP1 Q9NUW8 1/20 0.34
RXRA P19793 1/20 0.34
RXRB P28702 1/20 0.34
RXRG P48443 1/20 0.34
NLRP3 Q96P20 1/20 0.34
NR1H4 Q96RI1 1/20 0.34
MRGPRX4 Q96LA9 1/20 0.33

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
SCHEMBL27889673 0.77 CA2 (0.42) CA2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL3367136 0.75 CA2 (0.43) CA2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL8600022 0.75 CA2 (0.43) CA2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL5968095 0.75 CA2 (0.48) CA2ALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL28336908 0.73 CA2 (0.41) CA2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL27511682 0.73 ALDH1A1 (0.47) CA2ALDH1A1KDM4ESMN1; SMN2GAA
Hydrochloric Acid SCHEMBL727581 0.73 CA2 (0.41) CA2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL28378641 0.73 KMT2A (0.55) SMN1; SMN2NAMPTNR1H4
SCHEMBL27934690 0.72 ALDH1A1 (0.46) CA2ALDH1A1KDM4ESMN1; SMN2GAA
SCHEMBL9128351 0.71 CA2 (0.43) CA2ALDH1A1KDM4ESMN1; SMN2GAA

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-6891007-B2 Method for polymerizing polar substituted cycloalkenes BAYER AKTIENGESELLSCHAFT (DE) 2005-05-10 US disclosed
US-20030120011-A1 Method for polymerizing polar substituted cycloalkenes LANXESS DEUTSCHLAND GMBH (DE) 2003-06-26 US disclosed
CN-1422276-A Process for polymerizing polar substituted cycloalkenes BAYER AG (DE) 2003-06-04 CN disclosed