SCHEMBL540904

SCHEMBL540904

CC(C)(C)N[Si](C)(C)C1c2ccccc2-c2ccccc21.[Ti]

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.35
POLB P06746 3/20 0.33
ACHE P22303 3/20 0.33
KMT2A Q03164 2/20 0.33
BCHE P06276 2/20 0.33
MEN1 O00255 1/20 0.33
ATM Q13315 1/20 0.33
HDAC3 O15379 1/20 0.32
HDAC4 P56524 1/20 0.32
HDAC7 Q8WUI4 1/20 0.32
HDAC8 Q9BY41 1/20 0.32
HDAC6 Q9UBN7 1/20 0.32
HDAC9 Q9UKV0 1/20 0.32
HDAC5 Q9UQL6 1/20 0.32
NCOR2 Q9Y618 1/20 0.32
HTR2A P28223 1/20 0.31
PBRM1 Q86U86 1/20 0.30
TNKS2 Q9H2K2 1/20 0.30
CHRM2 P08172 1/20 0.30
HTR1A P08908 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
SCHEMBL7510367 0.98 GPR3 (0.36) GPR3POLBACHEKMT2ABCHE
Hydrochloric Acid SCHEMBL6862745 0.95 GPR3 (0.34) GPR3POLBACHEKMT2ABCHE
Hydrochloric Acid SCHEMBL6858048 0.95 GPR3 (0.34) GPR3POLBACHEKMT2ABCHE
Hydrochloric Acid SCHEMBL995806 0.95 GPR3 (0.34) GPR3POLBACHEKMT2ABCHE
SCHEMBL28790426 0.93 GPR3 (0.33) GPR3POLBACHEKMT2ABCHE
SCHEMBL29171300 0.91 GPR3 (0.32) GPR3POLBACHEKMT2ABCHE
SCHEMBL7630038 0.83
Hydrochloric Acid SCHEMBL8022568 0.80 GAA (0.30)
SCHEMBL4480345 0.79
SCHEMBL6908346 0.78 ALDH1A1 (0.31)

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
EP-2415792-A1 COPOLYMER OF OLEFIN AND CONJUGATED DIENE, AND PROCESS FOR PRODUCING SAME Mitsui Chemicals, Inc. (JP) 2012-02-08 EP disclosed