SCHEMBL8765349

SCHEMBL8765349

C[Ti](C)(C1=CC=CC1)C1c2ccccc2-c2ccccc21

nearest known ligand 0.34

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
GPR3 P46089 2/20 0.34
HDAC3 O15379 1/20 0.31
HDAC4 P56524 1/20 0.31
HDAC7 Q8WUI4 1/20 0.31
HDAC8 Q9BY41 1/20 0.31
HDAC6 Q9UBN7 1/20 0.31
HDAC9 Q9UKV0 1/20 0.31
HDAC5 Q9UQL6 1/20 0.31
NCOR2 Q9Y618 1/20 0.31
HTR2A P28223 1/20 0.31
CYP1A2 P05177 1/20 0.30
CYP2D6 P10635 1/20 0.30
POLB P06746 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
Hydrochloric Acid SCHEMBL8856006 0.76
SCHEMBL8766053 0.70
SCHEMBL1820171 0.69 GPR3 (0.46) GPR3HDAC3HDAC4HDAC7HDAC8
SCHEMBL8853881 0.68 SLC6A4 (0.41) GPR3HTR2ACYP1A2CYP2D6POLB
SCHEMBL27266876 0.66
SCHEMBL4745051 0.65 GPR3 (0.32) GPR3POLB
SCHEMBL566019 0.64 GPR3 (0.34) GPR3HTR2ACYP1A2CYP2D6POLB
SCHEMBL868285 0.64 GPR3 (0.34) GPR3HTR2ACYP1A2CYP2D6POLB
SCHEMBL6917180 0.64 GPR3 (0.34) GPR3HTR2ACYP1A2CYP2D6POLB
SCHEMBL6272931 0.64 GPR3 (0.34) GPR3HTR2ACYP1A2CYP2D6POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0505972-B1 Process for producing styrenic copolymer IDEMITSU KOSAN CO (JP) 1997-06-11 EP disclosed
EP-0572034-A2 Ethylenic copolymer and ethylenic copolymer composition IDEMITSU KOSAN COMPANY LIMITED (JP) 1993-12-01 EP disclosed