SCHEMBL7892604

SCHEMBL7892604

C1=C(C2(C3=Cc4ccccc4C3)CCCCC2)Cc2ccccc21

nearest known ligand 0.36

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAOA P21397 1/20 0.36
MAOB P27338 1/20 0.36
HTR2A P28223 1/20 0.35
CYP11B2 P19099 2/20 0.34
PTGS2 P35354 2/20 0.34
CYP11B1 P15538 1/20 0.34
TRPA1 O75762 1/20 0.32
ACHE P22303 1/20 0.32
ALDH1A1 P00352 2/20 0.31
L3MBTL1 Q9Y468 1/20 0.31
ESR1 P03372 1/20 0.31
ESR2 Q92731 1/20 0.31
GPR84 Q9NQS5 1/20 0.31
POLB P06746 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
SCHEMBL5666613 0.76 PTGS2 (0.32) PTGS2
SCHEMBL30664496 0.69 PTGS2 (0.57) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL7205941 0.69 PTGS2 (0.57) MAOAMAOBCYP11B2PTGS2CYP11B1
SCHEMBL7652059 0.67 MAOB (0.37) MAOAMAOBHTR2ATRPA1ALDH1A1
Hydrochloric Acid SCHEMBL22116227 0.65 CYP11B2 (0.34) MAOAMAOBHTR2ACYP11B2PTGS2
Hydrochloric Acid SCHEMBL22116221 0.65 CYP11B2 (0.34) MAOAMAOBHTR2ACYP11B2PTGS2
Hydrochloric Acid SCHEMBL22116270 0.65 CYP11B2 (0.34) MAOAMAOBHTR2ACYP11B2PTGS2
SCHEMBL1577673 0.63 CYP11B2 (0.46) MAOAMAOBHTR2ACYP11B2PTGS2
SCHEMBL626635 0.63 MAOA (0.44) MAOAMAOBHTR2ACYP11B2PTGS2
SCHEMBL29370486 0.63 PTGS2 (0.46) MAOAMAOBHTR2ACYP11B2PTGS2

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-6171994-B1 Multiple crosslinking type transition metal compound used for olefin polymerization process IDEMITSU KOSAN CO., LTD. (JP) 2001-01-09 US disclosed
US-5854165-A Transition metal compound, catalyst for olefin polymerization, process for preparing olefin polymer by use of catalyst IDEMITSU KOSAN CO., LTD. (JP) 1998-12-29 US disclosed
EP-0721954-A1 TRANSITION METAL COMPOUND, OLEFIN POLYMERIZATION CATALYST, AND PROCESS FOR PRODUCING OLEFIN POLYMER BY USING SAID CATALYST IDEMITSU KOSAN CO., LTD. (JP) 1996-07-17 EP disclosed