SCHEMBL8755331

SCHEMBL8755331

c1ccc([Zr](c2ccccc2)(C2c3ccccc3-c3ccccc32)C2c3ccccc3-c3ccccc32)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 2/20 0.38
GPR3 P46089 2/20 0.38
POLB P06746 2/20 0.36
MEN1 O00255 1/20 0.34
KMT2A Q03164 1/20 0.34
ATM Q13315 1/20 0.34
CA1 P00915 1/20 0.33
CA2 P00918 1/20 0.33
HDAC3 O15379 1/20 0.33
HDAC4 P56524 1/20 0.33
HDAC7 Q8WUI4 1/20 0.33
HDAC8 Q9BY41 1/20 0.33
HDAC6 Q9UBN7 1/20 0.33
HDAC9 Q9UKV0 1/20 0.33
HDAC5 Q9UQL6 1/20 0.33
NCOR2 Q9Y618 1/20 0.33
CYP1A2 P05177 2/20 0.32
TSHR P16473 1/20 0.32
ALDH1A1 P00352 1/20 0.32
CYP2D6 P10635 1/20 0.32

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 SCHEMBL30538351 0.82 GPR3 (0.31) HTR2AGPR3POLB
SCHEMBL28586502 0.77 HTR2A (0.35) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL6547416 0.70 GPR3 (0.41) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL796784 0.70 GPR3 (0.41) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL7602124 0.70 GPR3 (0.46) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL20440936 0.70 GPR3 (0.41) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL7566618 0.67 MAPT (0.40) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL8755072 0.67 MAPT (0.43) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL2906475 0.66 HTR2A (0.46) HTR2AGPR3POLBMEN1KMT2A
SCHEMBL29950614 0.64 GPR3 (0.50) HTR2AGPR3POLBMEN1KMT2A

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-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP claimed
EP-0768320-A1 Catalyst component and catalyst NIPPON OIL CO. LTD. (JP) 1997-04-16 EP disclosed